Structure of PDB 3mbj Chain A Binding Site BS01

Receptor Information

>3mbj Chain A (length=288) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482)

GMYANKVKKIAAVHDLSGMGRVSLTVVIPILSSMGFQVCPLPTAVLSNHT
QYPGFSFLDLTDEMPKIIAEWKKLEVQFDAIYTGYLGSPRQIQIVSDFIK
DFRQPDSLIVADPVLGDNGRLYTNFDMEMVKEMRHLITKADVITPNLTEL
FYLLDEPYKADSTDEELKEYLRLLSDKGPQVVIITSVPVHHKTSVYAYNR
QGNRYWKVTCPYLPAHYPGTGDTFTSVITGSLMQGDSLPMALDRATQFIL
QGIRATFGYEYDNREGILLEKVLHNLDMPIQMASYELI

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 3mbj Chain A Residue 291

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3mbj Crystal structure of a putative phosphomethylpyrimidine kinase (BT_4458) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.10 A resolution (rhombohedral form)
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): H276 D279
• Binding residue (residue number reindexed from 1): H274 D277
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.35: pyridoxal kinase.

Gene Ontology

Molecular Function

• GO:0008478 pyridoxal kinase activity
• GO:0016301 kinase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009443 pyridoxal 5'-phosphate salvage
• GO:0016310 phosphorylation
• GO:0042816 vitamin B6 metabolic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:3mbj, PDBe:3mbj, PDBj:3mbj
• PDBsum: 3mbj
• UniProt: Q89ZB9