Structure of PDB 3hrd Chain H Binding Site BS03

Receptor Information
>3hrd Chain H (length=157) Species: 1528 (Eubacterium barkeri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNKITINLNLNGEARSIVTEPNKRLLDLLREDFGLTSVKEGCSEGECGAC
TVIFNGDPVTTCCMLAGQADESTIITLEGVAEDGKPSLLQQCFLEAGAVQ
CGYCTPGMILTAKALLDKNPDPTDEEITVAMSGNLCRCTGYIKIHAAVRY
AVERCAN
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain3hrd Chain H Residue 908 [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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PDB3hrd The Mo-Se active site of nicotinate dehydrogenase
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E40 G41 C42 S43 G45 C47 G48 C50 C62
Binding residue
(residue number reindexed from 1)		E40 G41 C42 S43 G45 C47 G48 C50 C62
Annotation score1
Enzymatic activity
Enzyme Commision number 1.17.1.5: nicotinate dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050138 nicotinate dehydrogenase activity
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:1901848 nicotinate catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3hrd, PDBe:3hrd, PDBj:3hrd
PDBsum3hrd
PubMed19549881
UniProtQ0QLF3|NDSFS_EUBBA Nicotinate dehydrogenase small FeS subunit (Gene Name=ndhS)

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