Structure of PDB 3qvf Chain A Binding Site BS02

Receptor Information

>3qvf Chain A (length=274) Species: 43759 (Streptomyces wedmorensis)

HHSSGLVPRGSHMTPDFLAIKVGGSLFSRKDEPGSLDDDAVTRFARNFAR
LAETYRGRMVLISGGGAFGHGAIRDHDSTHAFSLAGLTEATFEVKKRWAE
KLRGIGVDAFPLQLAAMCTLRNGIPQLRSEVLRDVLDHGALPVLAGDALF
DEHGKLWAFSSDRVPEVLLPMVEGRLRVVTLTDVDGIVTDGAGGDTILPE
VDARSPEQAYAALWGSSEWDATGAMHTKLDALVTCARRGAECFIMRGDPG
SDLEFLTAPFSSWPAHVRSTRITT

Ligand information

• Ligand ID: FV1
• InChI: InChI=1S/C3H7O4P.2H2O.O.V/c1-2-3(7-2)8(4,5)6;;;;/h2-3H,1H3,(H2,4,5,6);2*1H2;;/q;;;;+3/p-3/t2-,3+;;;;/m0..../s1
• InChIKey: NKJNPQRWDUSUDP-VKZMHLLXSA-K
• SMILES:
  CACTVS 3.370: C[CH]1O[CH]1[P](O)(=O)O[V](O)(O)=O
  ACDLabs 12.01: O=[V](OP(=O)(O)C1OC1C)(O)O
  OpenEye OEToolkits 1.7.2: C[C@H]1[C@H](O1)[P@](=O)(O)O[V](=O)(O)O
  CACTVS 3.370: C[C@@H]1O[C@@H]1[P](O)(=O)O[V](O)(O)=O
  OpenEye OEToolkits 1.7.2: CC1C(O1)P(=O)(O)O[V](=O)(O)O
• Formula: C3 H8 O7 P V
• Name: dihydroxy{[(2R,3S)-3-methyloxiran-2-yl]phosphonato-kappaO}oxovanadium
• PDB chain: 3qvf Chain A Residue 4001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3qvf Structural and biochemical insights into the mechanism of fosfomycin phosphorylation by fosfomycin resistance kinase FomA.
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): K9 G12 K18 G52 G53 G54 H58 S148 S149 T210
• Binding residue (residue number reindexed from 1): K21 G24 K30 G64 G65 G66 H70 S160 S161 T222
• 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:3qvf, PDBe:3qvf, PDBj:3qvf
• PDBsum: 3qvf
• PubMed: 21728358
• UniProt: Q56187