Structure of PDB 7zm7 Chain B Binding Site BS01

Receptor Information
>7zm7 Chain B (length=456) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRTYGGLKDQDRIFQNLYGRYPPDLKHAKKMGDWYKTKEILLKGHDWIIG
EIKASGLRGRGGAGFPSGLKWSFMNFKDWDKDNKPRYLVVNADEGEPGTC
KDREIMRKDPHKLVEGCLVAGRAMNATAAYIYIRGEFYQEAAILQNAINE
AYAEGLIGKNACGSGYDFDVYIHRGAGAYVCGEETSLIESLEGKPGKPRL
KPPFPAAVGLFGCPSTVANVETVSVAPTICRRGGAWFASFGRERNHGTKL
FCISGHVNNPCTVEEEMSIPMRELIEKHCGGVRGGWDNLLAVIPGGSSTP
ILPKHICDDQLMDFDALKDSQSGLGTAAVIVMDKSTDVVRAISRLSHFYR
HESCGQCTPCREGSKWTDQIMKRFEKGMGRPREIDMLQELTKQVEGHTIC
ALGEAFAWPIQGLIRHFRPELEARMKKFAEETGGQALAGGWTHDSRQKGR
LVSPGM
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 chain7zm7 Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7zm7 Conformational changes in mitochondrial complex I of the thermophilic eukaryote Chaetomium thermophilum.
Resolution2.77 Å
Binding residue
(original residue number in PDB)		P249 C405 G406 Q407 C408 C411 T449 C451 L453
Binding residue
(residue number reindexed from 1)		P198 C354 G355 Q356 C357 C360 T398 C400 L402
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0010181 FMN binding
GO:0046872 metal ion binding
GO:0051287 NAD binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0045271 respiratory chain complex I

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7zm7, PDBe:7zm7, PDBj:7zm7
PDBsum7zm7
PubMed36427319
UniProtG0SA46

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