Structure of PDB 1m3u Chain A Binding Site BS01

Receptor Information

>1m3u Chain A (length=262) Species: 562 (Escherichia coli)

PTTISLLQKYKQEKKRFATITAYDYSFAKLFADEGLNVMLVGDSLGMTVQ
GHDSTLPVTVADIAYHTAAVRRGAPNCLLLADLPFMAYATPEQAFENAAT
VMRAGANMVKIEGGEWLVETVQMLTERAVPVCGHLGLTPQSVNIFGGYKV
QGRGDEAGDQLLSDALALEAAGAQLLVLECVPVELAKRITEALAIPVIGI
GAGNVTDGQILVMHDAFGITGGHIPKFAKNFLAETGDIRAAVRQYMAEVE
SGVYPGEEHSFH

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: 1m3u Chain A Residue 266

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1m3u Structure of E. coli Ketopantoate Hydroxymethyl Transferase Complexed with Ketopantoate and Mg(2+), Solved by Locating 160 Selenomethionine Sites.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D45 D84
• Binding residue (residue number reindexed from 1): D43 D82
• 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:0042802 identical protein binding
• GO:0046872 metal ion binding

Biological Process

• GO:0015940 pantothenate biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol
• GO:0016020 membrane

External links

• PDB: RCSB:1m3u, PDBe:1m3u, PDBj:1m3u
• PDBsum: 1m3u
• PubMed: 12906829
• UniProt: P31057|PANB_ECOLI 3-methyl-2-oxobutanoate hydroxymethyltransferase (Gene Name=panB)