Structure of PDB 7zmb Chain A Binding Site BS02

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 802 [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)		H133 D136 C137 C140 G143 C146 Q149 V239
Binding residue
(residue number reindexed from 1)		H95 D98 C99 C102 G105 C108 Q111 V201
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
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Cellular Component
External links
PDB RCSB:7zmb, PDBe:7zmb, PDBj:7zmb
PDBsum7zmb
PubMed36427319
UniProtG0RYA1

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