Structure of PDB 4egs Chain B Binding Site BS01

Receptor Information

>4egs Chain B (length=147) Species: 273068 (Caldanaerobacter subterraneus subsp. tengcongensis MB4)

SMRVLFVCTGNTCRSPMAEGIFNAKSKALGKDWEAKSAGVFAPEGFPASS
EAVEVLKKEYGIDISDHRAKSLREEDLKGADLVLAMAFSHKRSLVSQYPE
YADKIFTIKEFVGLEGDVEDPYGMPLEVYKKTAEELSGLIDKLIEKL

Ligand information

• Ligand ID: BCT
• InChI: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
• InChIKey: BVKZGUZCCUSVTD-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 1.5.0: C(=O)(O)[O-]
  CACTVS 3.341: OC([O-])=O
  ACDLabs 10.04: [O-]C(=O)O
• Formula: C H O3
• Name: BICARBONATE ION
• PDB chain: 4egs Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4egs Crystal Structure Analysis of Low Molecular Weight Protein Tyrosine Phosphatase from T. tengcongensis
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): C7 T8 G9 N10 T11 C12 R13
• Binding residue (residue number reindexed from 1): C8 T9 G10 N11 T12 C13 R14
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C7 T8 G9 N10 T11 C12 R13 S14 S36 R67 K69 A86 L93 D119
• Catalytic site (residue number reindexed from 1): C8 T9 G10 N11 T12 C13 R14 S15 S37 R68 K70 A87 L94 D120

Gene Ontology

Molecular Function

• GO:0004725 protein tyrosine phosphatase activity

Biological Process

• GO:0006470 protein dephosphorylation

External links

• PDB: RCSB:4egs, PDBe:4egs, PDBj:4egs
• PDBsum: 4egs
• UniProt: Q8RD95