Structure of PDB 3n8i Chain A Binding Site BS01

Receptor Information
>3n8i Chain A (length=154) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATKSVLFVCLGNICRSPIAEAVFRKLVTDQNISENWRVDSAATSGYEIGN
PPDYRGQSCMKRHGIPMSHVARQITKEDFATFDYILCMDESNLRDLNRKS
NQVKTCKAKIELLGSYDPQKQLIIEDPYYGNDSDFETVYQQCVRCCRAFL
EKAH
Ligand information
Ligand IDNLA
InChIInChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
InChIKeyPRPINYUDVPFIRX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cccc2CC(=O)O
CACTVS 3.341OC(=O)Cc1cccc2ccccc12
ACDLabs 10.04O=C(O)Cc2cccc1ccccc12
FormulaC12 H10 O2
NameNAPHTHALEN-1-YL-ACETIC ACID
ChEMBLCHEMBL428495
DrugBankDB01750
ZINCZINC000000391809
PDB chain3n8i Chain A Residue 158 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3n8i Structural Characterization of a Secondary Binding Site on Low Molecular Weight Protein Tyrosine Phosphatases
Resolution1.5 Å
Binding residue
(original residue number in PDB)		K79 R101 K102
Binding residue
(residue number reindexed from 1)		K76 R98 K99
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C12 N15 C17 R18 S19 D129
Catalytic site (residue number reindexed from 1) C9 N12 C14 R15 S16 D126
Enzyme Commision number 3.1.3.2: acid phosphatase.
3.1.3.48: protein-tyrosine-phosphatase.
Gene Ontology
Molecular Function
GO:0003993 acid phosphatase activity
GO:0004721 phosphoprotein phosphatase activity
GO:0004725 protein tyrosine phosphatase activity
GO:0004726 non-membrane spanning protein tyrosine phosphatase activity
GO:0005515 protein binding
GO:0016791 phosphatase activity
Biological Process
GO:0006470 protein dephosphorylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0009898 cytoplasmic side of plasma membrane
GO:0042383 sarcolemma
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3n8i, PDBe:3n8i, PDBj:3n8i
PDBsum3n8i
PubMed
UniProtP24666|PPAC_HUMAN Low molecular weight phosphotyrosine protein phosphatase (Gene Name=ACP1)

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