Structure of PDB 1gvg Chain A Binding Site BS02

Receptor Information
>1gvg Chain A (length=315) Species: 1901 (Streptomyces clavuligerus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSVDCTAYGPELRALAARLPRTPRADLYAFLDAAHTAAASLPGALATALD
TFNAEGSEDGHLLLRGLPVEADADLPTTPSSTPAPEDRSLLTMEAMLGLV
GRRLGLHTGYRELRSGTVYHDVYPSPGAHHLSSETSETLLEFHTEMAYHR
LQPNYVMLACSRADHERTAATLVASVRKALPLLDERTRARLLDRRMPCCV
DVAFRIAQVKPLYGDADDPFLGYDRELLAPEDPADKEAVAALSKALDEVT
EAVYLEPGDLLIVDNFRTTHARTPFSPRWDGKDRWLHRVYIRTDRNGQLS
GGERAGDVVAFTPRG
Ligand information
Ligand IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain1gvg Chain A Residue 326 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1gvg Crystal Structure of a Clavaminate Synthase-Fe(II) -2-Oxoglutarate-Substrate-No Complex: Evidence for Metal Centered Rearrangements
Resolution1.54 Å
Binding residue
(original residue number in PDB)		S134 L141 H144 E146 H279 R281 R293 L295 R297
Binding residue
(residue number reindexed from 1)		S133 L140 H143 E145 H270 R272 R284 L286 R288
Annotation score5
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1gvg, PDBe:1gvg, PDBj:1gvg
PDBsum1gvg
PubMed12062399
UniProtQ05581|CAS1_STRCL Clavaminate synthase 1 (Gene Name=cs1)

[Back to BioLiP]