Structure of PDB 7w2k Chain s Binding Site BS01

Receptor Information
>7w2k Chain s (length=303) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFMINILSLIIPILLAVAFLTLVERKVLGYMQLRKGPNVVGPYGLLQPIA
DALKLFTKEPLRPATSSISMFIIAPILALSLALTMWVPLPMPYPLINMNL
GVLFMLAMSSLAVYSILWSGWASNSKYALIGALRAVAQTISYEVTLAIIL
LSVLLMNGSYTLSTLITTQEHIWMIFTSWPLAMMWFISTLAETNRAPFDL
TAGPFAMFFMAEYANIIMMNAFTAILFLGASHDPHTPELYTINFVLKTLA
LTITFLWIRASYPRFRYDQLMHLLWKSFLPLTLALCMWHISLPIMTASIP
PQS
Ligand information
Ligand IDUQ
InChIInChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26?,46-28?,47-30-,48-32+,49-34+,50-36+,51-38-,52-40+,53-42-
InChIKeyACTIUHUUMQJHFO-RECDIHICSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(\C)/CCC=C(C)CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)CCC=C(C)CCC=C(C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
ACDLabs 10.04O=C1C(=C(C(=O)C(OC)=C1OC)C)C/C=C(/C)CC\C=C(/C)CC/C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC/C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C
CACTVS 3.341COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(\C)CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC=C(C)CCC=C(C)CCC=C(C)C
CACTVS 3.341COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
FormulaC59 H90 O4
NameCoenzyme Q10, (2Z,6E,10Z,14E,18E,22E,26Z)-isomer
ChEMBL
DrugBank
ZINC
PDB chain7w2k Chain s Residue 402 [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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PDB7w2k The coupling mechanism of mammalian mitochondrial complex I.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		A18 T21 R25 D51 A52 L55 F220 F224 M225
Binding residue
(residue number reindexed from 1)		A18 T21 R25 D51 A52 L55 F205 F209 M210
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).
Gene Ontology
Molecular Function
GO:0003954 NADH dehydrogenase activity
GO:0008137 NADH dehydrogenase (ubiquinone) activity
Biological Process
GO:0006120 mitochondrial electron transport, NADH to ubiquinone
GO:0009060 aerobic respiration
GO:0032981 mitochondrial respiratory chain complex I assembly
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane
GO:0045271 respiratory chain complex I

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7w2k, PDBe:7w2k, PDBj:7w2k
PDBsum7w2k
PubMed35145322
UniProtO79874|NU1M_PIG NADH-ubiquinone oxidoreductase chain 1 (Gene Name=MT-ND1)

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