Structure of PDB 1gvg Chain A Binding Site BS01

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 ID

InChI

InChI=1S/Fe/q+3

InChIKey

VTLYFUHAOXGGBS-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Fe+3]

Formula

Name

FE (III) ION

PDB chain

1gvg Chain A Residue 325 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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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)	H144 E146 H279
Binding residue (residue number reindexed from 1)	H143 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

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Molecular Function

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Biological Process

External links

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

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