Structure of PDB 4z9b Chain A Binding Site BS01

Receptor Information
>4z9b Chain A (length=157) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMEFTKSVLFVCLGNICRSPIAEAVFRKLVTDQNISENWRVDSAATSGYE
IGNPPDYRGQSCMKRHGIPMSHVARQITKEDFATFDYILCMDESNLRDLN
RKSNQVKTCKAKIELLGSYDPQKQLIIEDPYYGNDSDFETVYQQCVRCCR
AFLEKAH
Ligand information
Ligand IDB85
InChIInChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
InChIKeyOGBVRMYSNSKIEF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352O[P](O)(=O)Cc1ccccc1
ACDLabs 11.02O=P(O)(O)Cc1ccccc1
OpenEye OEToolkits 1.7.0c1ccc(cc1)CP(=O)(O)O
FormulaC7 H9 O3 P
Namebenzylphosphonic acid
ChEMBLCHEMBL299737
DrugBank
ZINCZINC000002168364
PDB chain4z9b Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4z9b Crystal structures of the apo form and a complex of human LMW-PTP with a phosphonic acid provide new evidence of a secondary site potentially related to the anchorage of natural substrates.
Resolution2.41 Å
Binding residue
(original residue number in PDB)		C12 L13 G14 I16 C17 R18 E50 D129
Binding residue
(residue number reindexed from 1)		C12 L13 G14 I16 C17 R18 E50 D129
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C12 N15 C17 R18 S19 D129
Catalytic site (residue number reindexed from 1) C12 N15 C17 R18 S19 D129
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:4z9b, PDBe:4z9b, PDBj:4z9b
PDBsum4z9b
PubMed26117648
UniProtP24666|PPAC_HUMAN Low molecular weight phosphotyrosine protein phosphatase (Gene Name=ACP1)

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