Structure of PDB 8ib4 Chain H Binding Site BS01

Receptor Information
>8ib4 Chain H (length=314) 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
EGESEGFNVEYAAGPFALFFMAEYTNIILMNALTTIIFLGPLYYINLPEL
YSTNFMMEALLLSSTFLWIRASYPRFRYDQLMHLLWKNFLPLTLALCMWH
ISLPIFTAGVPPYM
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 chain8ib4 Chain H Residue 400 [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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PDB8ib4 Respiratory complex CI:CIII2, type IA, Wild type mouse under cold temperature
Resolution4.3 Å
Binding residue
(original residue number in PDB)		L14 I15 R25 D51 A52 E202 F220 F224 M225
Binding residue
(residue number reindexed from 1)		L14 I15 R25 D51 A52 E201 F216 F220 M221
Annotation score1
External links
PDB RCSB:8ib4, PDBe:8ib4, PDBj:8ib4
PDBsum8ib4
PubMed
UniProtP03888|NU1M_MOUSE NADH-ubiquinone oxidoreductase chain 1 (Gene Name=Mtnd1)

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