Structure of PDB 8b9z Chain W Binding Site BS01

Receptor Information
>8b9z Chain W (length=114) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVQQVRPILSVDREEARKRALNLYKAWYRQIPYIVMDYDIPMTVEQCRDK
LREEFVKHRNVTDIRVIDMLVIKGQMELKESVEIWKQKGHIMRYWKESQD
PKPTDFLSKFIQGV
Ligand information
Ligand IDEHZ
InChIInChI=1S/C25H49N2O9PS/c1-4-5-6-7-8-9-10-11-12-13-20(28)18-22(30)38-17-16-26-21(29)14-15-27-24(32)23(31)25(2,3)19-36-37(33,34)35/h20,23,28,31H,4-19H2,1-3H3,(H,26,29)(H,27,32)(H2,33,34,35)/t20-,23-/m0/s1
InChIKeyJYSKQPQRUCZFIQ-REWPJTCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)O
CACTVS 3.385CCCCCCCCCCC[CH](O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
CACTVS 3.385CCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.6CCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)O
FormulaC25 H49 N2 O9 P S
Name~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{S})-3-oxidanyltetradecanethioate
ChEMBL
DrugBank
ZINC
PDB chain8b9z Chain T Residue 201 [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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PDB8b9z Cryo-EM structures of mitochondrial respiratory complex I from Drosophila melanogaster.
Resolution3.28 Å
Binding residue
(original residue number in PDB)		R26 A29 L30 W36 I43 V44 I49 C56 E63 F64 H67 R68 G83 I100
Binding residue
(residue number reindexed from 1)		R17 A20 L21 W27 I34 V35 I40 C47 E54 F55 H58 R59 G74 I91
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
Biological Process
GO:0006120 mitochondrial electron transport, NADH to ubiquinone
GO:0006979 response to oxidative stress
GO:0032981 mitochondrial respiratory chain complex I assembly
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:8b9z, PDBe:8b9z, PDBj:8b9z
PDBsum8b9z
PubMed36622099
UniProtQ7JZK1

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