Structure of PDB 2hv7 Chain E Binding Site BS01
Receptor Information
>2hv7 Chain E (length=301) Species:
9606
(Homo sapiens) [
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NFIIPKKEIHTVPDMGKWKRSQAYADYIGFILTLNEGVKGKKLTFEYRVS
EAIEKLVALLNTLDRWIDETPPVDQPSRFGNKAYRTWYAKLDEEAENLVA
TVVPTHLAAAVPEVAVYLKESVGNSTRIDYGTGHEAAFAAFLCCLCKIGV
LRVDDQIAIVFKVFNRYLEVMRKLQKTYRMEPAGSQGVWGLDDFQFLPFI
WGSSQLIDHPYLEPRHFVDEKAVNENHKDYMFLECILFITEMKTGPFAEH
SNQLWNISAVPSWSKVNQGLIRMYKAECLEKFPVIQHFKFGSLLPIHPVT
S
Ligand information
Ligand ID
ADP
InChI
InChI=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
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Formula
C10 H15 N5 O10 P2
Name
ADENOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL14830
DrugBank
DB16833
ZINC
ZINC000012360703
PDB chain
2hv7 Chain E Residue 324 [
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Receptor-Ligand Complex Structure
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PDB
2hv7
Structure and mechanism of the phosphotyrosyl phosphatase activator.
Resolution
2.5 Å
Binding residue
(original residue number in PDB)
R148 G152 T153 A204 G205 S206 P304 V305
Binding residue
(residue number reindexed from 1)
R127 G131 T132 A183 G184 S185 P283 V284
Annotation score
1
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
PDBsum
2hv7
PubMed
16916641
UniProt
Q15257
|PTPA_HUMAN Serine/threonine-protein phosphatase 2A activator (Gene Name=PTPA)
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