Structure of PDB 5hkl Chain A Binding Site BS01

Receptor Information

>5hkl Chain A (length=168) Species: 83332 (Mycobacterium tuberculosis H37Rv)

GPDRAELAELVRRLSVVHGRVTLSSGREADYYVDLRRATLHHRASALIGR
LMRELTADWDYSVVGGLTLGADPVATAIMHAPGRPIDAFVVRKSLIEGSE
VTGQRVLVVEDTSTTGNSALTAVHAVQDVGGEVVGVATVVDRATGAAEAI
EAEGLRYRSVLGLADLGL

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: 5hkl Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5hkl Structural investigations on orotate phosphoribosyltransferase from Mycobacterium tuberculosis, a key enzyme of the de novo pyrimidine biosynthesis.
• Resolution: 1.899 Å
• Binding residue (original residue number in PDB): T124 T125 G126 S128
• Binding residue (residue number reindexed from 1): T114 T115 G116 S118
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.4.2.10: orotate phosphoribosyltransferase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0004588 orotate phosphoribosyltransferase activity
• GO:0016757 glycosyltransferase activity

Biological Process

• GO:0006221 pyrimidine nucleotide biosynthetic process
• GO:0006222 UMP biosynthetic process
• GO:0019856 pyrimidine nucleobase biosynthetic process
• GO:0044205 'de novo' UMP biosynthetic process

External links

• PDB: RCSB:5hkl, PDBe:5hkl, PDBj:5hkl
• PDBsum: 5hkl
• PubMed: 28446777
• UniProt: P9WHK9|PYRE_MYCTU Orotate phosphoribosyltransferase (Gene Name=pyrE)