Structure of PDB 8ic3 Chain H Binding Site BS01

Receptor Information
>8ic3 Chain H (length=317) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFFINILTLLVPILIAMAFLTLVERKILGYMQLRKGPNIVGPYGILQPFA
DAMKLFMKEPMRPLTSMSLFIIAPTLSLTLALSLWVPLPMPHPLINLNLG
ILFILATSSLSVYSILWSGWASNSKYSLFGALRAVAQTISYEVTMAIILL
SVLLMNGSYSLQTLITTQEHMWLLLPAWPMAMMWFISTLAETNRAPFDLT
EGESELVSGFNVEYAAGPFALFFMAEYTNIILMNALTTIIFLGPLYYINL
PELYSTNFMMEALLLSSTFLWIRASYPRFRYDQLMHLLWKNFLPLTLALC
MWHISLPIFTAGVPPYM
Ligand information
Ligand IDUQ9
InChIInChI=1S/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24-,42-26+,43-28+,44-30+,45-32-,46-34+,47-36+,48-38+
InChIKeyUUGXJSBPSRROMU-YJKFELPISA-N
SMILES
SoftwareSMILES
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)/CC\C=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)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)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)/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)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)C
FormulaC54 H82 O4
NameUbiquinone-9;
2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14Z,18E,22E,26E,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18 ,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione
ChEMBL
DrugBank
ZINCZINC000098209509
PDB chain8ic3 Chain H Residue 401 [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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PDB8ic3 Respiratory complex Peripheral Arm of CI, focus-refined map of type I, PERK -/- mouse under cold temperature
Resolution3.2 Å
Binding residue
(original residue number in PDB)		R25 D51 A52 A221 F224 R274
Binding residue
(residue number reindexed from 1)		R25 D51 A52 A220 F223 R273
Annotation score1
External links
PDB RCSB:8ic3, PDBe:8ic3, PDBj:8ic3
PDBsum8ic3
PubMed
UniProtP03888|NU1M_MOUSE NADH-ubiquinone oxidoreductase chain 1 (Gene Name=Mtnd1)

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