Structure of PDB 4azw Chain A Binding Site BS04

Receptor Information

>4azw Chain A (length=413) Species: 562 (Escherichia coli)

LNTLVSELPEIYQTIFGHPEWDGDAARDCNQRLDLITEQYDNLSRALGRP
LNVLDLGCAQGFFSLSLASKGATIVGIDFQQENINVCRALAEENPDFAAE
FRVGRIEEVIAALEEGEFDLAIGLSVFHHIVHLHGIDEVKRLLSRLADVT
QAVILELAVKEEPFYWGVSQPDDPRELIEQCAFYRLIGEFDRPMYLVSNH
RVLINDFNQPFQHWQNQPYAGAGLAHKRSRRYFFGEDYVCKFFYYDMPHG
ILTAEESQRNKHELHNEIKFLTQPPAGFDAPAVLAHGENAQSGWLVMEKL
PGRLLSDMLAAGEEIDREKILGSLLRSLAALEKKGFWHDDVRPWNVMVDA
RQHARLIDFGSIVTTPTNLVQSFFVFVNELFLPQPWSNWLYAVWQEPVER
WNFALLLALFEKK

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: 4azw Chain A Residue 1453

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4azw Structure of Wbdd; a Bifunctional Kinase and Methyltransferase that Regulates the Chain Length of the O Antigen in Escherichia Coli O9A.
• Resolution: 2.47 Å
• Binding residue (original residue number in PDB): E274 D369
• Binding residue (residue number reindexed from 1): E263 D358
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.1.1.294: 3-O-phospho-polymannosyl GlcNAc-diphospho-ditrans,octacis-undecaprenol 3-phospho-methyltransferase.
  2.7.1.181: polymannosyl GlcNAc-diphospho-ditrans,octacis-undecaprenol kinase.

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation

External links

• PDB: RCSB:4azw, PDBe:4azw, PDBj:4azw
• PDBsum: 4azw
• PubMed: 22970759
• UniProt: Q47592|WBDD2_ECOLX O-antigen chain terminator bifunctional methyltransferase/kinase WbdD (Gene Name=wbdD)