Structure of PDB 1oy0 Chain D Binding Site BS01

Receptor Information

>1oy0 Chain D (length=248) Species: 1773 (Mycobacterium tuberculosis)

RTKIRTHHLQRWKADGHKWAMLTAYDYSTARIFDEAGIPVLLVGDSAANV
VYGYDTTVPISIDELIPLVRGVVRGAPHALVVADLPFGSYEAGPTAALAA
ATRFLKDGGAHAVKLEGGERVAEQIACLTAAGIPVMAHIGFTPGDAAEQT
IADAIAVAEAGAFAVVMEMVPAELATQITGKLTIPTVGIGAGPNCDGQVL
VWQDMAGFSGAKTARFVKRYADVGGELRRAAMQYAQEVAGGVFPADEH

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 1oy0 Chain D Residue 904

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1oy0 The Crystal Structure of the First Enzyme in the Pantothenate Biosynthetic Pathway, Ketopantoate Hydroxymethyltransferase, from M. tuberculosis
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): D62 E133
• Binding residue (residue number reindexed from 1): D45 E116
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.1.2.11: 3-methyl-2-oxobutanoate hydroxymethyltransferase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0003864 3-methyl-2-oxobutanoate hydroxymethyltransferase activity
• GO:0016740 transferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0015940 pantothenate biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005886 plasma membrane

External links

• PDB: RCSB:1oy0, PDBe:1oy0, PDBj:1oy0
• PDBsum: 1oy0
• PubMed: 12842039
• UniProt: P9WIL7|PANB_MYCTU 3-methyl-2-oxobutanoate hydroxymethyltransferase (Gene Name=panB)