Structure of PDB 1gqc Chain A Binding Site BS01

Receptor Information

>1gqc Chain A (length=242) Species: 562 (Escherichia coli)

SKAVIVIPARYGSSRLPGKPLLDIVGKPMIQHVYERALQVAGVAEVWVAT
DDPRVEQAVQAFGGKAIMTRNDHESGTDRLVEVMHKVEADIYINLQGDEP
MIRPRDVETLLQGMRDDPALPVATLCHAISAAEAAEPSTVKVVVNTRQDA
LYFSRSPIPYPRNAEKARYLKHVGIYAYRRDVLQNYSQLPESMPEQAESL
EQLRLMNAGINIRTFEVAATGPGVDTPACLEKVRALMAQELA

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: 1gqc Chain A Residue 1243

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1gqc Catalytic Mechanism of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase as Derived from Complexes with Reaction Educt and Product.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): Q96 D98
• Binding residue (residue number reindexed from 1): Q96 D98
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.7.38: 3-deoxy-manno-octulosonate cytidylyltransferase.

Gene Ontology

Molecular Function

• GO:0008690 3-deoxy-manno-octulosonate cytidylyltransferase activity
• GO:0016779 nucleotidyltransferase activity

Biological Process

• GO:0009103 lipopolysaccharide biosynthetic process
• GO:0033468 CMP-keto-3-deoxy-D-manno-octulosonic acid biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:1gqc, PDBe:1gqc, PDBj:1gqc
• PDBsum: 1gqc
• PubMed: 11802716
• UniProt: P42216|KPSU5_ECOLX 3-deoxy-manno-octulosonate cytidylyltransferase (Gene Name=kpsU)