Structure of PDB 1ds1 Chain A Binding Site BS02

Receptor Information
>1ds1 Chain A (length=323) 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
DVAFRGGVDDPGAIAQVKPLYGDADDPFLGYDRELLAPEDPADKEAVAAL
SKALDEVTEAVYLEPGDLLIVDNFRTTHARTPFSPRWDGKDRWLHRVYIR
TDRNGQLSGGERAGDVVAFTPRG
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 chain1ds1 Chain A Residue 330 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ds1 Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Resolution1.08 Å
Binding residue
(original residue number in PDB)		L141 H144 E146 L159 H279 R281 R293 R297
Binding residue
(residue number reindexed from 1)		L140 H143 E145 L158 H278 R280 R292 R296
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:1ds1, PDBe:1ds1, PDBj:1ds1
PDBsum1ds1
PubMed10655615
UniProtQ05581|CAS1_STRCL Clavaminate synthase 1 (Gene Name=cs1)

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