Structure of PDB 1gvg Chain A Binding Site BS04

Receptor Information

>1gvg Chain A (length=315) Species: 1901 (Streptomyces clavuligerus)

TSVDCTAYGPELRALAARLPRTPRADLYAFLDAAHTAAASLPGALATALD
TFNAEGSEDGHLLLRGLPVEADADLPTTPSSTPAPEDRSLLTMEAMLGLV
GRRLGLHTGYRELRSGTVYHDVYPSPGAHHLSSETSETLLEFHTEMAYHR
LQPNYVMLACSRADHERTAATLVASVRKALPLLDERTRARLLDRRMPCCV
DVAFRIAQVKPLYGDADDPFLGYDRELLAPEDPADKEAVAALSKALDEVT
EAVYLEPGDLLIVDNFRTTHARTPFSPRWDGKDRWLHRVYIRTDRNGQLS
GGERAGDVVAFTPRG

Ligand information

• Ligand ID: HOA
• InChI: InChI=1S/H3NO/c1-2/h2H,1H2
• InChIKey: AVXURJPOCDRRFD-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: NO
  ACDLabs 10.04: ON
• Formula: H3 N O
• Name: HYDROXYAMINE
• ChEMBL: CHEMBL1191361
• PDB chain: 1gvg Chain A Residue 332

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1gvg Crystal Structure of a Clavaminate Synthase-Fe(II) -2-Oxoglutarate-Substrate-No Complex: Evidence for Metal Centered Rearrangements
• Resolution: 1.54 Å
• Binding residue (original residue number in PDB): E146 H279
• Binding residue (residue number reindexed from 1): E145 H270
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.14.11.21: clavaminate synthase.

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0016491 oxidoreductase activity
• GO:0033758 clavaminate synthase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0017000 antibiotic biosynthetic process
• GO:0033050 clavulanic acid biosynthetic process

External links

• PDB: RCSB:1gvg, PDBe:1gvg, PDBj:1gvg
• PDBsum: 1gvg
• PubMed: 12062399
• UniProt: Q05581|CAS1_STRCL Clavaminate synthase 1 (Gene Name=cs1)