Structure of PDB 3quo Chain A Binding Site BS02

Receptor Information

>3quo Chain A (length=265) Species: 43759 (Streptomyces wedmorensis)

HHSSGLVPRGSHMTPDFLAIKVGGSLFSRKDEPGSLDDDAVTRFARNFAR
LAETYRGRMVLISGGGAFGHGAIRDHDSTHAFSLAGLTEATFEVKKRWAE
KLRGIGVDAFPLQLAAMCTLRNGIPQLRSEVLRDVLDHGALPVLAGDALF
DEHGKLWAFSSDRVPEVLLPMVEGRLRVVTLTDVDGIVTDTILPEVDARS
PEQAYAALWGSSAMHTKLDALVTCARRGAECFIMRGDPGSDLEFLTAPFS
SWPAHVRSTRITTTA

Ligand information

• Ligand ID: FCN
• InChI: InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1
• InChIKey: YMDXZJFXQJVXBF-STHAYSLISA-N
• SMILES:
  CACTVS 3.341: C[C@@H]1O[C@@H]1[P](O)(O)=O
  OpenEye OEToolkits 1.5.0: C[C@H]1[C@H](O1)P(=O)(O)O
  ACDLabs 10.04: O=P(O)(O)C1OC1C
  OpenEye OEToolkits 1.5.0: CC1C(O1)P(=O)(O)O
  CACTVS 3.341: C[CH]1O[CH]1[P](O)(O)=O
• Formula: C3 H7 O4 P
• Name: FOSFOMYCIN;
  1,2-EPOXYPROPYLPHOSPHONIC ACID
• ChEMBL: CHEMBL1757
• DrugBank: DB00828
• ZINC: ZINC000001530427
• PDB chain: 3quo Chain A Residue 4001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3quo Structural and biochemical insights into the mechanism of fosfomycin phosphorylation by fosfomycin resistance kinase FomA.
• Resolution: 1.58 Å
• Binding residue (original residue number in PDB): G52 G53 S148 S149
• Binding residue (residue number reindexed from 1): G64 G65 S160 S161
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.4.26: isopentenyl phosphate kinase.

Gene Ontology

Molecular Function

• GO:0004349 glutamate 5-kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0102043 isopentenyl phosphate kinase activity

Biological Process

• GO:0006561 proline biosynthetic process
• GO:0008299 isoprenoid biosynthetic process
• GO:0016310 phosphorylation

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:3quo, PDBe:3quo, PDBj:3quo
• PDBsum: 3quo
• PubMed: 21728358
• UniProt: Q56187