Structure of PDB 5vqa Chain A Binding Site BS01

Receptor Information
>5vqa Chain A (length=368) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTVHVEVHQRGSSTAKKEDINLSVRKLLNRHNIGDYTWTEFDEPFLTRNV
QSVSIIDDLSACTVALHIFQLNEDGPIIAANHWVLPAAEFHGLWDSLVYD
VEVKSHLLDYVMTTLLFSDKNVNSNLITWNRVVLLHGPPGTGKTSLCKAL
AQKLTIRLSSRYRYGQLIEINSHSKLVTKMFQKIQDLIDDKDALVFVLID
QVESLTAARDAIRVVNAVLTQIDQIKRHSNVVILTTSNITEKIDVAFVDR
ADIKQYIGPPSAAAIFKIYLSCLEELMKCQIIYPRQQLLTLRELEMIGFI
ENNVSKLSLLLNDISRKSEGLSGRVLRKLPFLAHALYVQAPTVTIEGFLQ
ALSLAVDKQFEERKKLAA
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain5vqa Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5vqa The AAA+ ATPase TRIP13 remodels HORMA domains through N-terminal engagement and unfolding.
Resolution2.54 Å
Binding residue
(original residue number in PDB)		V140 Y141 G182 T183 G184 K185 T186 S187 D252 I330 G385 R386 R389
Binding residue
(residue number reindexed from 1)		V98 Y99 G140 T141 G142 K143 T144 S145 D200 I268 G323 R324 R327
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003712 transcription coregulator activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0042802 identical protein binding
Biological Process
GO:0001556 oocyte maturation
GO:0006302 double-strand break repair
GO:0006366 transcription by RNA polymerase II
GO:0007094 mitotic spindle assembly checkpoint signaling
GO:0007130 synaptonemal complex assembly
GO:0007131 reciprocal meiotic recombination
GO:0007141 male meiosis I
GO:0007144 female meiosis I
GO:0007283 spermatogenesis
GO:0007286 spermatid development
GO:0030154 cell differentiation
GO:0048477 oogenesis
GO:0051321 meiotic cell cycle
GO:0051598 meiotic recombination checkpoint signaling
Cellular Component
GO:0001673 male germ cell nucleus
GO:0005634 nucleus
GO:0005694 chromosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5vqa, PDBe:5vqa, PDBj:5vqa
PDBsum5vqa
PubMed28659378
UniProtQ15645|PCH2_HUMAN Pachytene checkpoint protein 2 homolog (Gene Name=TRIP13)

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