Structure of PDB 4zi4 Chain A Binding Site BS02

Receptor Information
>4zi4 Chain A (length=282) Species: 630 (Yersinia enterocolitica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPYGPEARAELSSRLTTLRNTLAPATNDPRYLQACGGEKLNRFRDIQCRR
QTAVRADLNANYIQVGNTRTIACQYPLQSQLESHFRMLAENRTPVLAVLA
SSSEIANQRFGMPDYFRQSGTYGSITVESKMTQQVGLGDGIMADMYTLTI
REAGQKTISVPVVHVGNHPDQTAVSSEVTKALASLVDQTAETKRNMYESK
GSSAVADDSKLRPVIHCRAGVGRTAQLIGAMCMNDSRNSQLSVEDMVSQM
RVQRNGIMVQKDEQLDVLIKLAEGQGRPLLNS
Ligand information
Ligand IDVO4
InChIInChI=1S/4O.V/q;3*-1;
InChIKeyLSGOVYNHVSXFFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
[O-][V]([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-][V](=O)([O-])[O-]
FormulaO4 V
NameVANADATE ION
ChEMBL
DrugBank
ZINC
PDB chain4zi4 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zi4 Conservative Tryptophan Mutants of the Protein Tyrosine Phosphatase YopH Exhibit Impaired WPD-Loop Function and Crystallize with Divanadate Esters in Their Active Sites.
Resolution1.121 Å
Binding residue
(original residue number in PDB)
R278 K342 S388 S389
Binding residue
(residue number reindexed from 1)
R92 K156 S202 S203
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E290 H354 D356 H402 C403 R409 T410
Catalytic site (residue number reindexed from 1) E104 H168 D170 H216 C217 R223 T224
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:4zi4, PDBe:4zi4, PDBj:4zi4
PDBsum4zi4
PubMed26445170
UniProtP15273|YOPH_YEREN Tyrosine-protein phosphatase YopH (Gene Name=yopH)

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