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data_2GAA
#
_entry.id 2GAA
#
_audit_conform.dict_name mmcif_pdbx.dic
_audit_conform.dict_version 5.281
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
#
loop_
_database_2.database_id
_database_2.database_code
PDB 2GAA
RCSB RCSB036885
WWPDB D_1000036885
#
loop_
_pdbx_database_related.db_name
_pdbx_database_related.db_id
_pdbx_database_related.details
_pdbx_database_related.content_type
PDB 1UJ2 . unspecified
PDB 2GA8 . unspecified
#
_pdbx_database_status.status_code REL
_pdbx_database_status.entry_id 2GAA
_pdbx_database_status.recvd_initial_deposition_date 2006-03-08
_pdbx_database_status.deposit_site RCSB
_pdbx_database_status.process_site RCSB
_pdbx_database_status.status_code_sf REL
_pdbx_database_status.status_code_mr ?
_pdbx_database_status.SG_entry ?
_pdbx_database_status.pdb_format_compatible Y
_pdbx_database_status.status_code_cs ?
#
loop_
_audit_author.name
_audit_author.pdbx_ordinal
'Chaptal, V.' 1
'Morera, S.' 2
#
_citation.id primary
_citation.title
;Crystal structure and functional analysis identify the P-loop containing protein YFH7 of Saccharomyces cerevisiae as an ATP-dependent kinase.
;
_citation.journal_abbrev Proteins
_citation.journal_volume 71
_citation.page_first 804
_citation.page_last 812
_citation.year 2007
_citation.journal_id_ASTM PSFGEY
_citation.country US
_citation.journal_id_ISSN 0887-3585
_citation.journal_id_CSD 0867
_citation.book_publisher ?
_citation.pdbx_database_id_PubMed 18004758
_citation.pdbx_database_id_DOI 10.1002/prot.21740
#
loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
primary 'Gueguen-Chaignon, V.' 1
primary 'Chaptal, V.' 2
primary 'Lariviere, L.' 3
primary 'Costa, N.' 4
primary 'Lopes, P.' 5
primary 'Morera, S.' 6
primary 'Nessler, S.' 7
#
_cell.entry_id 2GAA
_cell.length_a 134.756
_cell.length_b 134.756
_cell.length_c 48.679
_cell.angle_alpha 90.00
_cell.angle_beta 90.00
_cell.angle_gamma 120.00
_cell.Z_PDB 9
_cell.pdbx_unique_axis ?
_cell.length_a_esd ?
_cell.length_b_esd ?
_cell.length_c_esd ?
_cell.angle_alpha_esd ?
_cell.angle_beta_esd ?
_cell.angle_gamma_esd ?
#
_symmetry.entry_id 2GAA
_symmetry.space_group_name_H-M 'H 3'
_symmetry.pdbx_full_space_group_name_H-M ?
_symmetry.cell_setting ?
_symmetry.Int_Tables_number 146
_symmetry.space_group_name_Hall ?
#
loop_
_entity.id
_entity.type
_entity.src_method
_entity.pdbx_description
_entity.formula_weight
_entity.pdbx_number_of_molecules
_entity.pdbx_ec
_entity.pdbx_mutation
_entity.pdbx_fragment
_entity.details
1 polymer man 'Hypothetical 39.9 kDa protein' 40996.633 1 ? ? ? ?
2 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ?
3 water nat water 18.015 180 ? ? ? ?
#
_entity_poly.entity_id 1
_entity_poly.type 'polypeptide(L)'
_entity_poly.nstd_linkage no
_entity_poly.nstd_monomer yes
_entity_poly.pdbx_seq_one_letter_code
;MVDTHKLADDVLQLLDNRIEDNYRVCVILVGSPGSGKSTIAEEL(CME)QIINEKYHTFLSEHPNVIEVNDRLKPMVNLV
DSLKTLQPNKVAEMIENQGLFKDHVEDVNFQPVKYSALTSNNEE(CME)TAVVARGGTANAIRIAAVDNPVNVNKLAQDS
INIAQIVPMDGFHLSRRCLDLFKDPQTAHKRRGSPSTFDSNNFLQLCKILAKTSL(CME)KVSSHHKFYSTSSVFEKLSK
TFSQTIPDIFVPGFNHALKDPTPDQYCISKFTRIVILEGLYLLYDQENWKKIYKTLADTGALLVYKIDIDYEATEERVAK
RHLQSGLVTTIAEGREKFRSNDLLNGRDIDNHLIKVDNIVHIRNDHHHHHH
;
_entity_poly.pdbx_seq_one_letter_code_can
;MVDTHKLADDVLQLLDNRIEDNYRVCVILVGSPGSGKSTIAEELCQIINEKYHTFLSEHPNVIEVNDRLKPMVNLVDSLK
TLQPNKVAEMIENQGLFKDHVEDVNFQPVKYSALTSNNEECTAVVARGGTANAIRIAAVDNPVNVNKLAQDSINIAQIVP
MDGFHLSRRCLDLFKDPQTAHKRRGSPSTFDSNNFLQLCKILAKTSLCKVSSHHKFYSTSSVFEKLSKTFSQTIPDIFVP
GFNHALKDPTPDQYCISKFTRIVILEGLYLLYDQENWKKIYKTLADTGALLVYKIDIDYEATEERVAKRHLQSGLVTTIA
EGREKFRSNDLLNGRDIDNHLIKVDNIVHIRNDHHHHHH
;
_entity_poly.pdbx_strand_id A
_entity_poly.pdbx_target_identifier ?
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 MET n
1 2 VAL n
1 3 ASP n
1 4 THR n
1 5 HIS n
1 6 LYS n
1 7 LEU n
1 8 ALA n
1 9 ASP n
1 10 ASP n
1 11 VAL n
1 12 LEU n
1 13 GLN n
1 14 LEU n
1 15 LEU n
1 16 ASP n
1 17 ASN n
1 18 ARG n
1 19 ILE n
1 20 GLU n
1 21 ASP n
1 22 ASN n
1 23 TYR n
1 24 ARG n
1 25 VAL n
1 26 CYS n
1 27 VAL n
1 28 ILE n
1 29 LEU n
1 30 VAL n
1 31 GLY n
1 32 SER n
1 33 PRO n
1 34 GLY n
1 35 SER n
1 36 GLY n
1 37 LYS n
1 38 SER n
1 39 THR n
1 40 ILE n
1 41 ALA n
1 42 GLU n
1 43 GLU n
1 44 LEU n
1 45 CME n
1 46 GLN n
1 47 ILE n
1 48 ILE n
1 49 ASN n
1 50 GLU n
1 51 LYS n
1 52 TYR n
1 53 HIS n
1 54 THR n
1 55 PHE n
1 56 LEU n
1 57 SER n
1 58 GLU n
1 59 HIS n
1 60 PRO n
1 61 ASN n
1 62 VAL n
1 63 ILE n
1 64 GLU n
1 65 VAL n
1 66 ASN n
1 67 ASP n
1 68 ARG n
1 69 LEU n
1 70 LYS n
1 71 PRO n
1 72 MET n
1 73 VAL n
1 74 ASN n
1 75 LEU n
1 76 VAL n
1 77 ASP n
1 78 SER n
1 79 LEU n
1 80 LYS n
1 81 THR n
1 82 LEU n
1 83 GLN n
1 84 PRO n
1 85 ASN n
1 86 LYS n
1 87 VAL n
1 88 ALA n
1 89 GLU n
1 90 MET n
1 91 ILE n
1 92 GLU n
1 93 ASN n
1 94 GLN n
1 95 GLY n
1 96 LEU n
1 97 PHE n
1 98 LYS n
1 99 ASP n
1 100 HIS n
1 101 VAL n
1 102 GLU n
1 103 ASP n
1 104 VAL n
1 105 ASN n
1 106 PHE n
1 107 GLN n
1 108 PRO n
1 109 VAL n
1 110 LYS n
1 111 TYR n
1 112 SER n
1 113 ALA n
1 114 LEU n
1 115 THR n
1 116 SER n
1 117 ASN n
1 118 ASN n
1 119 GLU n
1 120 GLU n
1 121 CME n
1 122 THR n
1 123 ALA n
1 124 VAL n
1 125 VAL n
1 126 ALA n
1 127 ARG n
1 128 GLY n
1 129 GLY n
1 130 THR n
1 131 ALA n
1 132 ASN n
1 133 ALA n
1 134 ILE n
1 135 ARG n
1 136 ILE n
1 137 ALA n
1 138 ALA n
1 139 VAL n
1 140 ASP n
1 141 ASN n
1 142 PRO n
1 143 VAL n
1 144 ASN n
1 145 VAL n
1 146 ASN n
1 147 LYS n
1 148 LEU n
1 149 ALA n
1 150 GLN n
1 151 ASP n
1 152 SER n
1 153 ILE n
1 154 ASN n
1 155 ILE n
1 156 ALA n
1 157 GLN n
1 158 ILE n
1 159 VAL n
1 160 PRO n
1 161 MET n
1 162 ASP n
1 163 GLY n
1 164 PHE n
1 165 HIS n
1 166 LEU n
1 167 SER n
1 168 ARG n
1 169 ARG n
1 170 CYS n
1 171 LEU n
1 172 ASP n
1 173 LEU n
1 174 PHE n
1 175 LYS n
1 176 ASP n
1 177 PRO n
1 178 GLN n
1 179 THR n
1 180 ALA n
1 181 HIS n
1 182 LYS n
1 183 ARG n
1 184 ARG n
1 185 GLY n
1 186 SER n
1 187 PRO n
1 188 SER n
1 189 THR n
1 190 PHE n
1 191 ASP n
1 192 SER n
1 193 ASN n
1 194 ASN n
1 195 PHE n
1 196 LEU n
1 197 GLN n
1 198 LEU n
1 199 CYS n
1 200 LYS n
1 201 ILE n
1 202 LEU n
1 203 ALA n
1 204 LYS n
1 205 THR n
1 206 SER n
1 207 LEU n
1 208 CME n
1 209 LYS n
1 210 VAL n
1 211 SER n
1 212 SER n
1 213 HIS n
1 214 HIS n
1 215 LYS n
1 216 PHE n
1 217 TYR n
1 218 SER n
1 219 THR n
1 220 SER n
1 221 SER n
1 222 VAL n
1 223 PHE n
1 224 GLU n
1 225 LYS n
1 226 LEU n
1 227 SER n
1 228 LYS n
1 229 THR n
1 230 PHE n
1 231 SER n
1 232 GLN n
1 233 THR n
1 234 ILE n
1 235 PRO n
1 236 ASP n
1 237 ILE n
1 238 PHE n
1 239 VAL n
1 240 PRO n
1 241 GLY n
1 242 PHE n
1 243 ASN n
1 244 HIS n
1 245 ALA n
1 246 LEU n
1 247 LYS n
1 248 ASP n
1 249 PRO n
1 250 THR n
1 251 PRO n
1 252 ASP n
1 253 GLN n
1 254 TYR n
1 255 CYS n
1 256 ILE n
1 257 SER n
1 258 LYS n
1 259 PHE n
1 260 THR n
1 261 ARG n
1 262 ILE n
1 263 VAL n
1 264 ILE n
1 265 LEU n
1 266 GLU n
1 267 GLY n
1 268 LEU n
1 269 TYR n
1 270 LEU n
1 271 LEU n
1 272 TYR n
1 273 ASP n
1 274 GLN n
1 275 GLU n
1 276 ASN n
1 277 TRP n
1 278 LYS n
1 279 LYS n
1 280 ILE n
1 281 TYR n
1 282 LYS n
1 283 THR n
1 284 LEU n
1 285 ALA n
1 286 ASP n
1 287 THR n
1 288 GLY n
1 289 ALA n
1 290 LEU n
1 291 LEU n
1 292 VAL n
1 293 TYR n
1 294 LYS n
1 295 ILE n
1 296 ASP n
1 297 ILE n
1 298 ASP n
1 299 TYR n
1 300 GLU n
1 301 ALA n
1 302 THR n
1 303 GLU n
1 304 GLU n
1 305 ARG n
1 306 VAL n
1 307 ALA n
1 308 LYS n
1 309 ARG n
1 310 HIS n
1 311 LEU n
1 312 GLN n
1 313 SER n
1 314 GLY n
1 315 LEU n
1 316 VAL n
1 317 THR n
1 318 THR n
1 319 ILE n
1 320 ALA n
1 321 GLU n
1 322 GLY n
1 323 ARG n
1 324 GLU n
1 325 LYS n
1 326 PHE n
1 327 ARG n
1 328 SER n
1 329 ASN n
1 330 ASP n
1 331 LEU n
1 332 LEU n
1 333 ASN n
1 334 GLY n
1 335 ARG n
1 336 ASP n
1 337 ILE n
1 338 ASP n
1 339 ASN n
1 340 HIS n
1 341 LEU n
1 342 ILE n
1 343 LYS n
1 344 VAL n
1 345 ASP n
1 346 ASN n
1 347 ILE n
1 348 VAL n
1 349 HIS n
1 350 ILE n
1 351 ARG n
1 352 ASN n
1 353 ASP n
1 354 HIS n
1 355 HIS n
1 356 HIS n
1 357 HIS n
1 358 HIS n
1 359 HIS n
#
_entity_src_gen.entity_id 1
_entity_src_gen.pdbx_src_id 1
_entity_src_gen.pdbx_alt_source_flag sample
_entity_src_gen.pdbx_seq_type ?
_entity_src_gen.pdbx_beg_seq_num ?
_entity_src_gen.pdbx_end_seq_num ?
_entity_src_gen.gene_src_common_name
;baker's yeast
;
_entity_src_gen.gene_src_genus Saccharomyces
_entity_src_gen.pdbx_gene_src_gene ?
_entity_src_gen.gene_src_species ?
_entity_src_gen.gene_src_strain ?
_entity_src_gen.gene_src_tissue ?
_entity_src_gen.gene_src_tissue_fraction ?
_entity_src_gen.gene_src_details ?
_entity_src_gen.pdbx_gene_src_fragment ?
_entity_src_gen.pdbx_gene_src_scientific_name 'Saccharomyces cerevisiae'
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 4932
_entity_src_gen.pdbx_gene_src_variant ?
_entity_src_gen.pdbx_gene_src_cell_line ?
_entity_src_gen.pdbx_gene_src_atcc ?
_entity_src_gen.pdbx_gene_src_organ ?
_entity_src_gen.pdbx_gene_src_organelle ?
_entity_src_gen.pdbx_gene_src_cell ?
_entity_src_gen.pdbx_gene_src_cellular_location ?
_entity_src_gen.host_org_common_name ?
_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli'
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562
_entity_src_gen.host_org_genus Escherichia
_entity_src_gen.pdbx_host_org_gene ?
_entity_src_gen.pdbx_host_org_organ ?
_entity_src_gen.host_org_species ?
_entity_src_gen.pdbx_host_org_tissue ?
_entity_src_gen.pdbx_host_org_tissue_fraction ?
_entity_src_gen.pdbx_host_org_strain 'BL21 Star'
_entity_src_gen.pdbx_host_org_variant ?
_entity_src_gen.pdbx_host_org_cell_line ?
_entity_src_gen.pdbx_host_org_atcc ?
_entity_src_gen.pdbx_host_org_culture_collection ?
_entity_src_gen.pdbx_host_org_cell ?
_entity_src_gen.pdbx_host_org_organelle ?
_entity_src_gen.pdbx_host_org_cellular_location ?
_entity_src_gen.pdbx_host_org_vector_type ?
_entity_src_gen.pdbx_host_org_vector ?
_entity_src_gen.host_org_details ?
_entity_src_gen.expression_system_id ?
_entity_src_gen.plasmid_name ?
_entity_src_gen.plasmid_details ?
_entity_src_gen.pdbx_description ?
#
_struct_ref.id 1
_struct_ref.db_name UNP
_struct_ref.db_code YFH7_YEAST
_struct_ref.pdbx_db_accession P43591
_struct_ref.entity_id 1
_struct_ref.pdbx_seq_one_letter_code
;MVDTHKLADDVLQLLDNRIEDNYRVCVILVGSPGSGKSTIAEELCQIINEKYHTFLSEHPNVIEVNDRLKPMVNLVDSLK
TLQPNKVAEMIENQGLFKDHVEDVNFQPVKYSALTSNNEECTAVVARGGTANAIRIAAVDNPVNVNKLAQDSINIAQIVP
MDGFHLSRRCLDLFKDPQTAHKRRGSPSTFDSNNFLQLCKILAKTSLCKVSSHHKFYSTSSVFEKLSKTFSQTIPDIFVP
GFNHALKDPTPDQYCISKFTRIVILEGLYLLYDQENWKKIYKTLADTGALLVYKIDIDYEATEERVAKRHLQSGLVTTIA
EGREKFRSNDLLNGRDIDNHLIKVDNIVHIRND
;
_struct_ref.pdbx_align_begin 1
_struct_ref.pdbx_db_isoform ?
#
_struct_ref_seq.align_id 1
_struct_ref_seq.ref_id 1
_struct_ref_seq.pdbx_PDB_id_code 2GAA
_struct_ref_seq.pdbx_strand_id A
_struct_ref_seq.seq_align_beg 1
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
_struct_ref_seq.seq_align_end 353
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
_struct_ref_seq.pdbx_db_accession P43591
_struct_ref_seq.db_align_beg 1
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
_struct_ref_seq.db_align_end 353
_struct_ref_seq.pdbx_db_align_end_ins_code ?
_struct_ref_seq.pdbx_auth_seq_align_beg 1
_struct_ref_seq.pdbx_auth_seq_align_end 353
#
loop_
_struct_ref_seq_dif.align_id
_struct_ref_seq_dif.pdbx_pdb_id_code
_struct_ref_seq_dif.mon_id
_struct_ref_seq_dif.pdbx_pdb_strand_id
_struct_ref_seq_dif.seq_num
_struct_ref_seq_dif.pdbx_pdb_ins_code
_struct_ref_seq_dif.pdbx_seq_db_name
_struct_ref_seq_dif.pdbx_seq_db_accession_code
_struct_ref_seq_dif.db_mon_id
_struct_ref_seq_dif.pdbx_seq_db_seq_num
_struct_ref_seq_dif.details
_struct_ref_seq_dif.pdbx_auth_seq_num
_struct_ref_seq_dif.pdbx_ordinal
1 2GAA HIS A 354 ? UNP P43591 ? ? 'EXPRESSION TAG' 354 1
1 2GAA HIS A 355 ? UNP P43591 ? ? 'EXPRESSION TAG' 355 2
1 2GAA HIS A 356 ? UNP P43591 ? ? 'EXPRESSION TAG' 356 3
1 2GAA HIS A 357 ? UNP P43591 ? ? 'EXPRESSION TAG' 357 4
1 2GAA HIS A 358 ? UNP P43591 ? ? 'EXPRESSION TAG' 358 5
1 2GAA HIS A 359 ? UNP P43591 ? ? 'EXPRESSION TAG' 359 6
#
loop_
_chem_comp.id
_chem_comp.type
_chem_comp.mon_nstd_flag
_chem_comp.name
_chem_comp.pdbx_synonyms
_chem_comp.formula
_chem_comp.formula_weight
ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093
ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209
ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103
CME 'L-peptide linking' n 'S,S-(2-HYDROXYETHYL)THIOCYSTEINE' ? 'C5 H11 N O3 S2' 197.276
CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158
GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129
GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067
HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162
HOH non-polymer . WATER ? 'H2 O' 18.015
ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173
LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173
LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195
MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211
PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189
PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130
SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093
SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063
THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119
TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225
TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189
VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146
#
_exptl.entry_id 2GAA
_exptl.method 'X-RAY DIFFRACTION'
_exptl.crystals_number 1
#
_exptl_crystal.id 1
_exptl_crystal.density_meas ?
_exptl_crystal.density_Matthews 2.07
_exptl_crystal.density_percent_sol 40.70
_exptl_crystal.description ?
_exptl_crystal.F_000 ?
_exptl_crystal.preparation ?
#
_exptl_crystal_grow.crystal_id 1
_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP'
_exptl_crystal_grow.temp 298
_exptl_crystal_grow.temp_details ?
_exptl_crystal_grow.pH 6.5
_exptl_crystal_grow.pdbx_details
;PEG 5000MME
ammonium sulfate, pH 6.5,VAPOR DIFFUSION, HANGING DROP, temperature 298K
;
_exptl_crystal_grow.pdbx_pH_range .
#
_diffrn.id 1
_diffrn.ambient_temp 100
_diffrn.ambient_temp_details ?
_diffrn.crystal_id 1
#
_diffrn_detector.diffrn_id 1
_diffrn_detector.detector CCD
_diffrn_detector.type MARRESEARCH
_diffrn_detector.pdbx_collection_date 2005-02-20
_diffrn_detector.details ?
#
_diffrn_radiation.diffrn_id 1
_diffrn_radiation.wavelength_id 1
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
_diffrn_radiation.monochromator ?
_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
_diffrn_radiation.pdbx_scattering_type x-ray
#
_diffrn_radiation_wavelength.id 1
_diffrn_radiation_wavelength.wavelength 0.98
_diffrn_radiation_wavelength.wt 1.0
#
_diffrn_source.diffrn_id 1
_diffrn_source.source SYNCHROTRON
_diffrn_source.type 'ESRF BEAMLINE ID23-1'
_diffrn_source.pdbx_synchrotron_site ESRF
_diffrn_source.pdbx_synchrotron_beamline ID23-1
_diffrn_source.pdbx_wavelength ?
_diffrn_source.pdbx_wavelength_list 0.98
#
_reflns.entry_id 2GAA
_reflns.observed_criterion_sigma_I 1
_reflns.observed_criterion_sigma_F 1
_reflns.d_resolution_low 20
_reflns.d_resolution_high 1.95
_reflns.number_obs 23765
_reflns.number_all 23990
_reflns.percent_possible_obs 99.1
_reflns.pdbx_Rmerge_I_obs ?
_reflns.pdbx_Rsym_value 0.059
_reflns.pdbx_netI_over_sigmaI ?
_reflns.B_iso_Wilson_estimate ?
_reflns.pdbx_redundancy 2.8
_reflns.R_free_details ?
_reflns.limit_h_max ?
_reflns.limit_h_min ?
_reflns.limit_k_max ?
_reflns.limit_k_min ?
_reflns.limit_l_max ?
_reflns.limit_l_min ?
_reflns.observed_criterion_F_max ?
_reflns.observed_criterion_F_min ?
_reflns.pdbx_chi_squared ?
_reflns.pdbx_scaling_rejects ?
_reflns.pdbx_diffrn_id 1
_reflns.pdbx_ordinal 1
#
_reflns_shell.d_res_high 1.95
_reflns_shell.d_res_low 2.06
_reflns_shell.percent_possible_all 99
_reflns_shell.Rmerge_I_obs ?
_reflns_shell.pdbx_Rsym_value 0.378
_reflns_shell.meanI_over_sigI_obs ?
_reflns_shell.pdbx_redundancy 2.5
_reflns_shell.percent_possible_obs ?
_reflns_shell.number_unique_all 3436
_reflns_shell.number_measured_all ?
_reflns_shell.number_measured_obs ?
_reflns_shell.number_unique_obs ?
_reflns_shell.pdbx_chi_squared ?
_reflns_shell.pdbx_diffrn_id ?
_reflns_shell.pdbx_ordinal 1
#
_refine.entry_id 2GAA
_refine.ls_number_reflns_obs 23765
_refine.ls_number_reflns_all 23990
_refine.pdbx_ls_sigma_I ?
_refine.pdbx_ls_sigma_F 2
_refine.pdbx_data_cutoff_high_absF ?
_refine.pdbx_data_cutoff_low_absF ?
_refine.pdbx_data_cutoff_high_rms_absF ?
_refine.ls_d_res_low 20
_refine.ls_d_res_high 1.95
_refine.ls_percent_reflns_obs ?
_refine.ls_R_factor_obs ?
_refine.ls_R_factor_all ?
_refine.ls_R_factor_R_work 0.193
_refine.ls_R_factor_R_free 0.232
_refine.ls_R_factor_R_free_error ?
_refine.ls_R_factor_R_free_error_details ?
_refine.ls_percent_reflns_R_free ?
_refine.ls_number_reflns_R_free 1156
_refine.ls_number_parameters ?
_refine.ls_number_restraints ?
_refine.occupancy_min ?
_refine.occupancy_max ?
_refine.correlation_coeff_Fo_to_Fc ?
_refine.correlation_coeff_Fo_to_Fc_free ?
_refine.B_iso_mean ?
_refine.aniso_B[1][1] ?
_refine.aniso_B[2][2] ?
_refine.aniso_B[3][3] ?
_refine.aniso_B[1][2] ?
_refine.aniso_B[1][3] ?
_refine.aniso_B[2][3] ?
_refine.solvent_model_details ?
_refine.solvent_model_param_ksol ?
_refine.solvent_model_param_bsol ?
_refine.pdbx_solvent_vdw_probe_radii ?
_refine.pdbx_solvent_ion_probe_radii ?
_refine.pdbx_solvent_shrinkage_radii ?
_refine.pdbx_ls_cross_valid_method ?
_refine.details ?
_refine.pdbx_starting_model 2GA8
_refine.pdbx_method_to_determine_struct 'FOURIER SYNTHESIS'
_refine.pdbx_isotropic_thermal_model ?
_refine.pdbx_stereochemistry_target_values 'Engh & Huber'
_refine.pdbx_stereochem_target_val_spec_case ?
_refine.pdbx_R_Free_selection_details random
_refine.pdbx_overall_ESU_R ?
_refine.pdbx_overall_ESU_R_Free ?
_refine.overall_SU_ML ?
_refine.overall_SU_B ?
_refine.ls_redundancy_reflns_obs ?
_refine.B_iso_min ?
_refine.B_iso_max ?
_refine.overall_SU_R_Cruickshank_DPI ?
_refine.overall_SU_R_free ?
_refine.ls_wR_factor_R_free ?
_refine.ls_wR_factor_R_work ?
_refine.overall_FOM_free_R_set ?
_refine.overall_FOM_work_R_set ?
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
_refine.pdbx_overall_phase_error ?
_refine.pdbx_diffrn_id 1
_refine.pdbx_TLS_residual_ADP_flag ?
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
_refine.pdbx_overall_SU_R_Blow_DPI ?
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
#
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
_refine_hist.cycle_id LAST
_refine_hist.pdbx_number_atoms_protein 2625
_refine_hist.pdbx_number_atoms_nucleic_acid 0
_refine_hist.pdbx_number_atoms_ligand 5
_refine_hist.number_atoms_solvent 180
_refine_hist.number_atoms_total 2810
_refine_hist.d_res_high 1.95
_refine_hist.d_res_low 20
#
loop_
_refine_ls_restr.type
_refine_ls_restr.dev_ideal
_refine_ls_restr.dev_ideal_target
_refine_ls_restr.weight
_refine_ls_restr.number
_refine_ls_restr.pdbx_refine_id
_refine_ls_restr.pdbx_restraint_function
c_bond_d 0.0048 ? ? ? 'X-RAY DIFFRACTION' ?
c_angle_deg 1.19 ? ? ? 'X-RAY DIFFRACTION' ?
#
_struct.entry_id 2GAA
_struct.title
'Crystal structure of YFH7 from Saccharomyces cerevisiae: a putative P-loop containing kinase with a circular permutation.'
_struct.pdbx_descriptor 'Hypothetical 39.9 kDa protein'
_struct.pdbx_model_details ?
_struct.pdbx_CASP_flag ?
_struct.pdbx_model_type_details ?
#
_struct_keywords.entry_id 2GAA
_struct_keywords.pdbx_keywords 'UNKNOWN FUNCTION'
_struct_keywords.text 'YFR007w, YFH7, UNKNOWN FUNCTION'
#
loop_
_struct_asym.id
_struct_asym.pdbx_blank_PDB_chainid_flag
_struct_asym.pdbx_modified
_struct_asym.entity_id
_struct_asym.details
A N N 1 ?
B N N 2 ?
C N N 3 ?
#
_struct_biol.id 1
_struct_biol.details ?
#
loop_
_struct_conf.conf_type_id
_struct_conf.id
_struct_conf.pdbx_PDB_helix_id
_struct_conf.beg_label_comp_id
_struct_conf.beg_label_asym_id
_struct_conf.beg_label_seq_id
_struct_conf.pdbx_beg_PDB_ins_code
_struct_conf.end_label_comp_id
_struct_conf.end_label_asym_id
_struct_conf.end_label_seq_id
_struct_conf.pdbx_end_PDB_ins_code
_struct_conf.beg_auth_comp_id
_struct_conf.beg_auth_asym_id
_struct_conf.beg_auth_seq_id
_struct_conf.end_auth_comp_id
_struct_conf.end_auth_asym_id
_struct_conf.end_auth_seq_id
_struct_conf.pdbx_PDB_helix_class
_struct_conf.details
_struct_conf.pdbx_PDB_helix_length
HELX_P HELX_P1 1 ASP A 3 ? ILE A 19 ? ASP A 3 ILE A 19 1 ? 17
HELX_P HELX_P2 2 GLY A 36 ? HIS A 59 ? GLY A 36 HIS A 59 1 ? 24
HELX_P HELX_P3 3 GLN A 83 ? ASN A 93 ? GLN A 83 ASN A 93 1 ? 11
HELX_P HELX_P4 4 PHE A 97 ? VAL A 101 ? PHE A 97 VAL A 101 5 ? 5
HELX_P HELX_P5 5 GLY A 128 ? ALA A 133 ? GLY A 128 ALA A 133 5 ? 6
HELX_P HELX_P6 6 ASP A 162 ? HIS A 165 ? ASP A 162 HIS A 165 5 ? 4
HELX_P HELX_P7 7 SER A 167 ? LEU A 173 ? SER A 167 LEU A 173 1 ? 7
HELX_P HELX_P8 8 ASP A 176 ? ARG A 183 ? ASP A 176 ARG A 183 1 ? 8
HELX_P HELX_P9 9 SER A 186 ? PHE A 190 ? SER A 186 PHE A 190 5 ? 5
HELX_P HELX_P10 10 ASP A 191 ? LEU A 207 ? ASP A 191 LEU A 207 1 ? 17
HELX_P HELX_P11 11 SER A 221 ? LYS A 228 ? SER A 221 LYS A 228 1 ? 8
HELX_P HELX_P12 12 GLN A 274 ? ASP A 286 ? GLN A 274 ASP A 286 1 ? 13
HELX_P HELX_P13 13 ASP A 298 ? SER A 313 ? ASP A 298 SER A 313 1 ? 16
HELX_P HELX_P14 14 THR A 318 ? ASN A 329 ? THR A 318 ASN A 329 1 ? 12
HELX_P HELX_P15 15 GLY A 334 ? HIS A 340 ? GLY A 334 HIS A 340 1 ? 7
#
_struct_conf_type.id HELX_P
_struct_conf_type.criteria ?
_struct_conf_type.reference ?
#
loop_
_struct_conn.id
_struct_conn.conn_type_id
_struct_conn.pdbx_leaving_atom_flag
_struct_conn.pdbx_PDB_id
_struct_conn.ptnr1_label_asym_id
_struct_conn.ptnr1_label_comp_id
_struct_conn.ptnr1_label_seq_id
_struct_conn.ptnr1_label_atom_id
_struct_conn.pdbx_ptnr1_label_alt_id
_struct_conn.pdbx_ptnr1_PDB_ins_code
_struct_conn.pdbx_ptnr1_standard_comp_id
_struct_conn.ptnr1_symmetry
_struct_conn.ptnr2_label_asym_id
_struct_conn.ptnr2_label_comp_id
_struct_conn.ptnr2_label_seq_id
_struct_conn.ptnr2_label_atom_id
_struct_conn.pdbx_ptnr2_label_alt_id
_struct_conn.pdbx_ptnr2_PDB_ins_code
_struct_conn.ptnr1_auth_asym_id
_struct_conn.ptnr1_auth_comp_id
_struct_conn.ptnr1_auth_seq_id
_struct_conn.ptnr2_auth_asym_id
_struct_conn.ptnr2_auth_comp_id
_struct_conn.ptnr2_auth_seq_id
_struct_conn.ptnr2_symmetry
_struct_conn.pdbx_ptnr3_label_atom_id
_struct_conn.pdbx_ptnr3_label_seq_id
_struct_conn.pdbx_ptnr3_label_comp_id
_struct_conn.pdbx_ptnr3_label_asym_id
_struct_conn.pdbx_ptnr3_label_alt_id
_struct_conn.pdbx_ptnr3_PDB_ins_code
_struct_conn.details
_struct_conn.pdbx_dist_value
_struct_conn.pdbx_value_order
covale1 covale ? ? A LEU 44 C ? ? ? 1_555 A CME 45 N ? ? A LEU 44 A CME 45 1_555 ? ? ? ? ? ? ? 1.325 ?
covale2 covale ? ? A CME 45 C ? ? ? 1_555 A GLN 46 N ? ? A CME 45 A GLN 46 1_555 ? ? ? ? ? ? ? 1.464 ?
covale3 covale ? ? A GLU 120 C ? ? ? 1_555 A CME 121 N ? ? A GLU 120 A CME 121 1_555 ? ? ? ? ? ? ? 1.215 ?
covale4 covale ? ? A CME 121 C ? ? ? 1_555 A THR 122 N ? ? A CME 121 A THR 122 1_555 ? ? ? ? ? ? ? 1.551 ?
covale5 covale ? ? A LEU 207 C ? ? ? 1_555 A CME 208 N ? ? A LEU 207 A CME 208 1_555 ? ? ? ? ? ? ? 1.138 ?
covale6 covale ? ? A CME 208 C ? ? ? 1_555 A LYS 209 N ? ? A CME 208 A LYS 209 1_555 ? ? ? ? ? ? ? 1.452 ?
#
_struct_conn_type.id covale
_struct_conn_type.criteria ?
_struct_conn_type.reference ?
#
loop_
_struct_sheet.id
_struct_sheet.type
_struct_sheet.number_strands
_struct_sheet.details
A ? 5 ?
B ? 2 ?
C ? 6 ?
#
loop_
_struct_sheet_order.sheet_id
_struct_sheet_order.range_id_1
_struct_sheet_order.range_id_2
_struct_sheet_order.offset
_struct_sheet_order.sense
A 1 2 ? parallel
A 2 3 ? parallel
A 3 4 ? parallel
A 4 5 ? parallel
B 1 2 ? parallel
C 1 2 ? parallel
C 2 3 ? anti-parallel
C 3 4 ? anti-parallel
C 4 5 ? anti-parallel
C 5 6 ? anti-parallel
#
loop_
_struct_sheet_range.sheet_id
_struct_sheet_range.id
_struct_sheet_range.beg_label_comp_id
_struct_sheet_range.beg_label_asym_id
_struct_sheet_range.beg_label_seq_id
_struct_sheet_range.pdbx_beg_PDB_ins_code
_struct_sheet_range.end_label_comp_id
_struct_sheet_range.end_label_asym_id
_struct_sheet_range.end_label_seq_id
_struct_sheet_range.pdbx_end_PDB_ins_code
_struct_sheet_range.beg_auth_comp_id
_struct_sheet_range.beg_auth_asym_id
_struct_sheet_range.beg_auth_seq_id
_struct_sheet_range.end_auth_comp_id
_struct_sheet_range.end_auth_asym_id
_struct_sheet_range.end_auth_seq_id
A 1 ALA A 156 ? PRO A 160 ? ALA A 156 PRO A 160
A 2 ILE A 262 ? GLY A 267 ? ILE A 262 GLY A 267
A 3 VAL A 25 ? VAL A 30 ? VAL A 25 VAL A 30
A 4 LEU A 290 ? ASP A 296 ? LEU A 290 ASP A 296
A 5 ILE A 347 ? ARG A 351 ? ILE A 347 ARG A 351
B 1 VAL A 65 ? ASN A 66 ? VAL A 65 ASN A 66
B 2 PHE A 230 ? SER A 231 ? PHE A 230 SER A 231
C 1 LYS A 80 ? THR A 81 ? LYS A 80 THR A 81
C 2 VAL A 109 ? ALA A 113 ? VAL A 109 ALA A 113
C 3 CME A 121 ? VAL A 125 ? CME A 121 VAL A 125
C 4 ILE A 134 ? ALA A 137 ? ILE A 134 ALA A 137
C 5 ILE A 237 ? ASN A 243 ? ILE A 237 ASN A 243
C 6 ASP A 248 ? ILE A 256 ? ASP A 248 ILE A 256
#
loop_
_pdbx_struct_sheet_hbond.sheet_id
_pdbx_struct_sheet_hbond.range_id_1
_pdbx_struct_sheet_hbond.range_id_2
_pdbx_struct_sheet_hbond.range_1_label_atom_id
_pdbx_struct_sheet_hbond.range_1_label_comp_id
_pdbx_struct_sheet_hbond.range_1_label_asym_id
_pdbx_struct_sheet_hbond.range_1_label_seq_id
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code
_pdbx_struct_sheet_hbond.range_1_auth_atom_id
_pdbx_struct_sheet_hbond.range_1_auth_comp_id
_pdbx_struct_sheet_hbond.range_1_auth_asym_id
_pdbx_struct_sheet_hbond.range_1_auth_seq_id
_pdbx_struct_sheet_hbond.range_2_label_atom_id
_pdbx_struct_sheet_hbond.range_2_label_comp_id
_pdbx_struct_sheet_hbond.range_2_label_asym_id
_pdbx_struct_sheet_hbond.range_2_label_seq_id
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code
_pdbx_struct_sheet_hbond.range_2_auth_atom_id