Structure of PDB 3f9b Chain A Binding Site BS01

Receptor Information

>3f9b Chain A (length=282) Species: 34055 (Yersinia enterocolitica (type O:9))

SPYGPEARAELSSRLTTLRNTLAPATNDPRYLQACGGEKLNRFRDIQCRR
QTAVRADLNANYIQVGNTRTIACQYPLQSQLESHFRMLAENRTPVLAVLA
SSSEIANQRFGMPDYFRQSGTYGSITVESKMTQQVGLGDGIMADMYTLTI
REAGQKTISVPVVHVGNFPDQTAVSSEVTKALASLVDQTAETKRNMYESK
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: 3f9b Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3f9b Impaired acid catalysis by mutation of a protein loop hinge residue in a YopH mutant revealed by crystal structures.
• Resolution: 1.42 Å
• Binding residue (original residue number in PDB): R278 S388 S389
• Binding residue (residue number reindexed from 1): R92 S202 S203
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E290 F354 D356 H402 C403 R409 T410
• Catalytic site (residue number reindexed from 1): E104 F168 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:3f9b, PDBe:3f9b, PDBj:3f9b
• PDBsum: 3f9b
• PubMed: 19140798
• UniProt: P15273|YOPH_YEREN Tyrosine-protein phosphatase YopH (Gene Name=yopH)