Structure of PDB 2hv7 Chain B Binding Site BS01

Receptor Information
>2hv7 Chain B (length=301) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NFIIPKKEIHTVPDMGKWKRSQAYADYIGFILTLNEGVKGKKLTFEYRVS
EAIEKLVALLNTLDRWIDETPPVDQPSRFGNKAYRTWYAKLDEEAENLVA
TVVPTHLAAAVPEVAVYLKESVGNSTRIDYGTGHEAAFAAFLCCLCKIGV
LRVDDQIAIVFKVFNRYLEVMRKLQKTYRMEPAGSQGVWGLDDFQFLPFI
WGSSQLIDHPYLEPRHFVDEKAVNENHKDYMFLECILFITEMKTGPFAEH
SNQLWNISAVPSWSKVNQGLIRMYKAECLEKFPVIQHFKFGSLLPIHPVT
S
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain2hv7 Chain B Residue 324 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hv7 Structure and mechanism of the phosphotyrosyl phosphatase activator.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R148 G152 T153 G154 A204 G205 P304 V305 Q307 H308
Binding residue
(residue number reindexed from 1)		R127 G131 T132 G133 A183 G184 P283 V284 Q286 H287
Annotation score1
Enzymatic activity
Enzyme Commision number 5.2.1.8: peptidylprolyl isomerase.
Gene Ontology
Molecular Function
GO:0003755 peptidyl-prolyl cis-trans isomerase activity
GO:0004721 phosphoprotein phosphatase activity
GO:0005102 signaling receptor binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008160 protein tyrosine phosphatase activator activity
GO:0019211 phosphatase activator activity
GO:0019888 protein phosphatase regulator activity
GO:0019902 phosphatase binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0051721 protein phosphatase 2A binding
Biological Process
GO:0007052 mitotic spindle organization
GO:0043065 positive regulation of apoptotic process
Cellular Component
GO:0000159 protein phosphatase type 2A complex
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0034704 calcium channel complex
GO:0070062 extracellular exosome
GO:1904949 ATPase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2hv7, PDBe:2hv7, PDBj:2hv7
PDBsum2hv7
PubMed16916641
UniProtQ15257|PTPA_HUMAN Serine/threonine-protein phosphatase 2A activator (Gene Name=PTPA)

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