Structure of PDB 7zmb Chain A Binding Site BS03

Receptor Information
>7zmb Chain A (length=711) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEVELTIDGKKVSIEAGSALIQACEKAGVVVPRYCYHEKLAIAGNCRMCL
VEVERSPKPVASCAWPVQAGMVVKTNSPLTHKAREGVMEFLLANHPLDCP
ICDQGGECDLQDQSMRYGADRGRFHEIGGKRAVEDKNIGPLIKTSMNRCI
HCTRCVRFMNDIAGAPELGSTGRGNDLQIGTYLEKNLDSELSGNVIDLCP
VGALTSKPYAFRARPWELKRTESIDVLDGLGSNIRVDSRGLEVMRILPRL
NDDVNEEWINDKTRFACDGLKTQRLTMPLVRRDGKFEPATWEQALTEIAH
AYQTLAPKENEFKVIAGQLVEVESLVAMKDLANRLGSENLALDFPGGSQP
LAHGVDIRSNYLFNSKIWGIEEADAILLVGTNPRHEAAVLNARIRKQWLR
SDLEIAAVGQPWESTFDYEHLGTDLAALKNALSGPFGEKLKKAKRPMIIV
GSGVTEHPDAKAFYETVWSFVEKNASNFLTEEWCGYNVLQRAASRAGAFE
VGFVVPSPEVAATKPKFVWLLGADEFDPADVPKDAFIVYQGHHGDRGAEI
ADIVLPGAAYTEKAGTYVNTEGRVQMTRAATGLPGAARTDWKIIRAVSEF
LGVPLPYDDVAQLRDRMAEISPALAAYDVVEPVALRHLSKVQLVDQNKGA
KVTGEPLKKVVENFYFTDVISRSSPTMARCSAAKETGDPRTNFMAPGMEE
DRPMGQIAYGA
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 chain7zmb Chain A Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7zmb Conformational changes in mitochondrial complex I of the thermophilic eukaryote Chaetomium thermophilum.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		C187 C190 T191 C193 I217 C237 L242
Binding residue
(residue number reindexed from 1)		C149 C152 T153 C155 I179 C199 L204
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003954 NADH dehydrogenase activity
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0016491 oxidoreductase activity
GO:0016651 oxidoreductase activity, acting on NAD(P)H
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0042773 ATP synthesis coupled electron transport
GO:0045333 cellular respiration
GO:1902600 proton transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7zmb, PDBe:7zmb, PDBj:7zmb
PDBsum7zmb
PubMed36427319
UniProtG0RYA1

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