Structure of PDB 8ic5 Chain Ac Binding Site BS04

Receptor Information
>8ic5 Chain Ac (length=369) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HPLFKIINHSFIDLPAPSNISSWWNFGSLLGVCLMVQIITGLFLAMHYTS
DTMTAFSSVTHICRDVNYGWLIRYMHANGASMFFICLFLHVGRGLYYGSY
TFMETWNIGVLLLFAVMATAFMGYVLPWGQMSFWGATVITNLLSIGTTLV
EWIWGGFSVDKATLTRFFAFHFILPFIIAALAIVHLLFLHETGSNNPTGL
NSDADKIPFHPYYTIKDILGILIMFLILMTLVLFFPDMLGDPDNYMPANP
LNTPPHIKPEWYFLFAYAILRSIPNKLGGVLALILSILILALMPFLHTSK
QRSLMFRPITQILYWILVANLLILTWIGGQPVEHPFIIIGQLASISYFSI
ILILMPISGIIEDKMLKLY
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 chain8ic5 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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PDB8ic5 Respiratory complex CIII2, focus-refined of type I, PERK -/- mouse under cold temperature
Resolution4.1 Å
Binding residue
(original residue number in PDB)		S17 F18 L21 S35 G38 M42 F220
Binding residue
(residue number reindexed from 1)		S10 F11 L14 S28 G31 M35 F209
Annotation score1
External links
PDB RCSB:8ic5, PDBe:8ic5, PDBj:8ic5
PDBsum8ic5
PubMed
UniProtP00158|CYB_MOUSE Cytochrome b (Gene Name=Mt-Cyb)

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