Structure of PDB 4pza Chain A Binding Site BS01

Receptor Information

>4pza Chain A (length=207) Species: 83332 (Mycobacterium tuberculosis H37Rv)

ARRLVMLRHGQTDRMQGQLDTELSELGRTQAVAAAEVLGKRQPLLIVSSD
LRRAYDTAVKLGERTGLVVRVDTRLRETHLGDWQGLTHAQIDADAPGARL
AWREDATWAPHGGESRVDVAARSRPLVAELVASEPEWGGADEPDRPVVLV
AHGGLIAALSAALLKLPVANWPALGGMGNASWTQLSGHWFESIRWRLDVW
NASAQVS

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 4pza Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4pza Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase
• Resolution: 1.776 Å
• Binding residue (original residue number in PDB): R10 H11 R60 E84 H159 G160
• Binding residue (residue number reindexed from 1): R8 H9 R53 E77 H152 G153
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H11 R60 E84
• Catalytic site (residue number reindexed from 1): H9 R53 E77
• Enzyme Commision number: 3.1.3.70: mannosyl-3-phosphoglycerate phosphatase.
  3.1.3.85: glucosyl-3-phosphoglycerate phosphatase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0016787 hydrolase activity
• GO:0016791 phosphatase activity
• GO:0050531 mannosyl-3-phosphoglycerate phosphatase activity

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4pza, PDBe:4pza, PDBj:4pza
• PDBsum: 4pza
• PubMed: 24914210
• UniProt: P9WIC6|GPGP_MYCTO Glucosyl-3-phosphoglycerate phosphatase (Gene Name=gpgP)