Structure of PDB 1hux Chain A Binding Site BS01

Receptor Information
>1hux Chain A (length=259) Species: 905 (Acidaminococcus fermentans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIYTLGIDVGSTASKCIILKDGKEIVAKSLVAVGTGTSGPARSISEVLEN
AHMKKEDMAFTLATGYGRNSLEGIADKQMSELSCHAMGASFIWPNVHTVI
DIGGQDVKVIHVENGTMTNFQMNDKCAAGTGRFLDVMANILEVKVSDLAE
LGAKSTKRVAISSTCTVFAESEVISQLSKGTDKIDIIAGIHRSVASRVIG
LANRVGIVKDVVMTGGVAQNYGVRGALEEGLGVEIKTSPLAQYNGALGAA
LYAYKKAAK
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain1hux Chain A Residue 290 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1hux Crystal structure of the Acidaminococcus fermentans 2-hydroxyglutaryl-CoA dehydratase component A.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		C127 A128 C166 T167
Binding residue
(residue number reindexed from 1)		C126 A127 C165 T166
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0019552 glutamate catabolic process via 2-hydroxyglutarate

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Molecular Function
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Biological Process
External links
PDB RCSB:1hux, PDBe:1hux, PDBj:1hux
PDBsum1hux
PubMed11243821
UniProtP11568|HGDC_ACIFV (R)-2-hydroxyglutaryl-CoA dehydratase activating ATPase (Gene Name=hgdC)

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