Structure of PDB 6drb Chain A Binding Site BS01

Receptor Information

>6drb Chain A (length=278) Species: 632 (Yersinia pestis)

SPYGPEARAELSSRLTTLRNTLAPATNDPRYLQACGGEKLNRFRDIQCRR
QTAVRADLNANYIQVGNTRTIACQYPLQSQLESHFRMLAENRTPVLAVLA
SSSEIANQRFGMPDYFRQSGTYGSITVESKMTQQVGLGDGIMADMYTLTI
REAGQKTISVPVVHVTTWVVSSEVTKALASLVDQTAETKRNMYESKGSSA
VADDSKLRPVIHCRAGVGRTAQLIGAMCMNDSRNSQLSVEDMVSQMRVQR
NGIMVQKDEQLDVLIKLAEGQGRPLLNS

Ligand information

• Ligand ID: WO4
• InChI: InChI=1S/4O.W/q;;2*-1;
• InChIKey: PBYZMCDFOULPGH-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-][W](=O)(=O)[O-]
  ACDLabs 10.04
  CACTVS 3.341: [O-][W]([O-])(=O)=O
• Formula: O4 W
• Name: TUNGSTATE(VI)ION
• PDB chain: 6drb Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6drb A YopH PTP1B Chimera Shows the Importance of the WPD-Loop Sequence to the Activity, Structure, and Dynamics of Protein Tyrosine Phosphatases.
• Resolution: 2.745 Å
• Binding residue (original residue number in PDB): C403 R404 A405 G408 R409
• Binding residue (residue number reindexed from 1): C213 R214 A215 G218 R219
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E290 W354 H402 C403 R409 T410
• Catalytic site (residue number reindexed from 1): E104 W168 H212 C213 R219 T220
• 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:6drb, PDBe:6drb, PDBj:6drb
• PDBsum: 6drb
• PubMed: 30110154
• UniProt: O68720