Structure of PDB 8iao Chain AC Binding Site BS04

Receptor Information
>8iao Chain AC (length=373) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HPLFKIINHSFIDLPAPSNISSWWNFGSLLGVCLMVQIITGLFLAMHYTS
DTMTAFSSVTHICRDVNYGWLIRYMHANGASMFFICLFLHVGRGLYYGSY
TFMETWNIGVLLLFAVMATAFMGYVLPWGQMSFWGATVITNLLSAIPYIG
TTLVEWIWGGFSVDKATLTRFFAFHFILPFIIAALAIVHLLFLHETGSNN
PTGLNSDADKIPFHPYYTIKDILGILIMFLILMTLVLFFPDMLGDPDNYM
PANPLNTPPHIKPEWYFLFAYAILRSIPNKLGGVLALILSILILALMPFL
HTSKQRSLMFRPITQILYWILVANLLILTWIGGQPVEHPFIIIGQLASIS
YFSIILILMPISGIIEDKMLKLY
Ligand information
Ligand IDUQ6
InChIInChI=1S/C39H60O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26,40-41H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22-,32-24+,33-26+
InChIKeyDYOSCPIQEYRQEO-XQCASOQKSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(c1c(O)c(c(c(O)c1OC)C\C=C(/C)CC\C=C(/C)CC/C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)C)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(c(c1O)OC)OC)O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(c(c1O)OC)OC)O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C
CACTVS 3.341COc1c(O)c(C)c(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c(O)c1OC
CACTVS 3.341COc1c(O)c(C)c(C\C=C(/C)CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(O)c1OC
FormulaC39 H60 O4
Name5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL
ChEMBL
DrugBank
ZINCZINC000064437272
PDB chain8iao Chain AC Residue 406 [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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PDB8iao Respiratory complex CI:CIII2, type I, Wild type mouse under thermoneutral temperature
Resolution4.2 Å
Binding residue
(original residue number in PDB)		S17 F18 L21 L197 F220
Binding residue
(residue number reindexed from 1)		S10 F11 L14 L190 F213
Annotation score1
External links
PDB RCSB:8iao, PDBe:8iao, PDBj:8iao
PDBsum8iao
PubMed
UniProtP00158|CYB_MOUSE Cytochrome b (Gene Name=Mt-Cyb)

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