Structure of PDB 6cau Chain A Binding Site BS02

Receptor Information

>6cau Chain A (length=307) Species: 470 (Acinetobacter baumannii)

HHHMRRIKHIHFVGIGGAGMCGIAEVLANQGYKISGSDIKASKTTQQLEE
NGIKVYIGHEAENIKNANVLVVSTAIDPENPEVKAAIEQRIPIVRRAEML
GELMRYRHGIAVAGTHGKTTTTSLLTTMLAEENLDPTYVIGGLLNSTGVN
AALGESRFIVAEADESDASFLYLQPMAAIVTNIDADGSFDKLKDTFVQFL
HNLPFYGLAVVCGDDANIREILPRVGRPVITYGFNEDNDIRAIDVEQDGM
RSHFTVLRKGREPLRLTINQPGLHNVLNALAAIGVATDEGVSDEAISRAL
KGFSGVG

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: 6cau Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6cau UDP-N-acetylmuramate--alanine ligase from Acinetobacter baumannii AB5075-UW with AMPPNP
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): T134 E177
• Binding residue (residue number reindexed from 1): T119 E162
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K133 L158
• Catalytic site (residue number reindexed from 1): K118 L143
• Enzyme Commision number: 6.3.2.8: UDP-N-acetylmuramate--L-alanine ligase.

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0008763 UDP-N-acetylmuramate-L-alanine ligase activity
• GO:0016874 ligase activity
• GO:0016881 acid-amino acid ligase activity

Biological Process

• GO:0008360 regulation of cell shape
• GO:0009058 biosynthetic process
• GO:0009252 peptidoglycan biosynthetic process
• GO:0051301 cell division
• GO:0071555 cell wall organization

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6cau, PDBe:6cau, PDBj:6cau
• PDBsum: 6cau
• UniProt: B7GV74|MURC_ACIB3 UDP-N-acetylmuramate--L-alanine ligase (Gene Name=murC)