Structure of PDB 4zn5 Chain A Binding Site BS02

Receptor Information

>4zn5 Chain A (length=282) Species: 630 (Yersinia enterocolitica)

SPYGPEARAELSSRLTTLRNTLAPATNDPRYLQACGGEKLNRFRDIQCRR
QTAVRADLNANYIQVGNTRTIACQYPLQSQLESHFRMLAENRTPVLAVLA
SSSEIANQRFGMPDYFRQSGTYGSITVESKMTQQVGLGDGIMADMYTLTI
REAGQKTISVPVVHVGNYPDQTAVSSEVTKALASLVDQTAETKRNMYESK
GSSAVADDSKLRPVIHCRAGVGRTAQLIGAMCMNDSRNSQLSVEDMVSQM
RVQRNGIMVQKDEQLDVLIKLAEGQGRPLLNS

Ligand information

• Ligand ID: VO4
• InChI: InChI=1S/4O.V/q;3*-1;
• InChIKey: LSGOVYNHVSXFFJ-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341: [O-][V]([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-][V](=O)([O-])[O-]
• Formula: O4 V
• Name: VANADATE ION
• PDB chain: 4zn5 Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4zn5 Conservative Tryptophan Mutants of the Protein Tyrosine Phosphatase YopH Exhibit Impaired WPD-Loop Function and Crystallize with Divanadate Esters in Their Active Sites.
• Resolution: 1.12 Å
• Binding residue (original residue number in PDB): R278 K342 S388 S389
• Binding residue (residue number reindexed from 1): R92 K156 S202 S203
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E290 Y354 D356 H402 C403 R409 T410
• Catalytic site (residue number reindexed from 1): E104 Y168 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

External links

• PDB: RCSB:4zn5, PDBe:4zn5, PDBj:4zn5
• PDBsum: 4zn5
• PubMed: 26445170
• UniProt: P15273|YOPH_YEREN Tyrosine-protein phosphatase YopH (Gene Name=yopH)