Structure of PDB 8e9h Chain E Binding Site BS01

Receptor Information
>8e9h Chain E (length=232) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LELGQRPDEAGPPISGPATYPDDVTESLRADAEQIIARYPDARSALLPLL
HLVQAQDGYLTPAGIGFCAAQLGLTEAEVTAVATFYSMYRRTPTGDYLVG
VCTNTLCAIMGGDAILEALEDHLGVHPGQTTPDGRVTLEHVECNAACDYA
PVVMVNWEFYDNQTPSSARDLVDGLRSGSPPPPTRGSLCTFRETARTLAG
LTDPNAPGGAPGAATLAGLRLARERGMTAPTP
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 chain8e9h Chain E Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8e9h Structure of mycobacterial respiratory complex I.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		C107 C112 C148 N149 A150 A151 C152 V157
Binding residue
(residue number reindexed from 1)		C102 C107 C143 N144 A145 A146 C147 V152
Annotation score1
Enzymatic activity
Enzyme Commision number 1.6.99.5: Transferred entry: 1.6.5.11.
Gene Ontology
Molecular Function
GO:0003954 NADH dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding
Cellular Component
GO:0045271 respiratory chain complex I

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Molecular Function
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Cellular Component
External links
PDB RCSB:8e9h, PDBe:8e9h, PDBj:8e9h
PDBsum8e9h
PubMed36952383
UniProtA0QU32

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