Structure of PDB 1wch Chain A Binding Site BS01

Receptor Information
>1wch Chain A (length=308) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HSFLTNDELAVLPVVKVLPSGKYTGANLKSVIRVLRGLLDQGIPSKELEN
LQELKPLDQCLIGQTKENRRKNRYKNILPYDATRVPLGDEGGYINASFIK
IPVGKEEFVYIACQGPLPTTVGDFWQMIWEQKSTVIAMMTQEVEGEKIKC
QRYWPNILGKTTMVSNRLRLALVRMQQLKGFVVRAMTLEDIQTREVRHIS
HLNFTAWPDHDTPSQPDDLLTFISYMRHIHRSGPIITHCSAGIGRSGTLI
CIDVVLGLISQDLDFDISDLVRCMRLQRHGMVQTEDQYIFCYQVILYVLT
RLQAEEEQ
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain1wch Chain A Residue 3478 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wch Crystal Structure of Ptpl1/Fap-1 Human Tyrosine Phosphatase Mutated in Colorectal Cancer: Eveidence for a Second Phosphotyrosine Substrate Recognition Pocket
Resolution1.85 Å
Binding residue
(original residue number in PDB)		D2378 C2408 S2409 A2410 I2412 G2413 R2414
Binding residue
(residue number reindexed from 1)		D209 C239 S240 A241 I243 G244 R245
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D2378 C2408 R2414 S2415 Q2452
Catalytic site (residue number reindexed from 1) D209 C239 R245 S246 Q283
Enzyme Commision number 3.1.3.48: protein-tyrosine-phosphatase.
Gene Ontology
Molecular Function
GO:0004725 protein tyrosine phosphatase activity
Biological Process
GO:0006470 protein dephosphorylation
GO:0016311 dephosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:1wch, PDBe:1wch, PDBj:1wch
PDBsum1wch
PubMed15611135
UniProtQ12923|PTN13_HUMAN Tyrosine-protein phosphatase non-receptor type 13 (Gene Name=PTPN13)

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