Structure of PDB 7dhe Chain D Binding Site BS01

Receptor Information
>7dhe Chain D (length=146) Species: 672 (Vibrio vulnificus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFNKILVVCVGNICRSPTGERVLQKLLPNKTVASAGIAAEKSRLIGKPAD
AMAIEVAKENCVDVENHQSQQLTSALCSQYDLILVMEKGHMEALTQIAPE
ARGKTMLFGQWIGQKDIPDPYRQSKEAFVHAYQLIDEAAQAWAKKL
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 chain7dhe Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7dhe Wzb of Vibrio vulnificus represents a new group of low-molecular-weight protein tyrosine phosphatases with a unique insertion in the W-loop.
Resolution2.79 Å
Binding residue
(original residue number in PDB)		C9 V10 G11 I13 C14 R15 D119 Y121
Binding residue
(residue number reindexed from 1)		C9 V10 G11 I13 C14 R15 D119 Y121
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.48: protein-tyrosine-phosphatase.
Gene Ontology
Molecular Function
GO:0004721 phosphoprotein phosphatase activity
GO:0004725 protein tyrosine phosphatase activity
Biological Process
GO:0006470 protein dephosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:7dhe, PDBe:7dhe, PDBj:7dhe
PDBsum7dhe
PubMed33450227
UniProtE5F0S0

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