Structure of PDB 8ic2 Chain Ac Binding Site BS04

Receptor Information

>8ic2 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 ID

UQ6

InChI

InChI=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+

InChIKey

DYOSCPIQEYRQEO-XQCASOQKSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O(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 1.5.0	Cc1c(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 1.5.0	Cc1c(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 3.341	COc1c(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 3.341	COc1c(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

Formula

C39 H60 O4

Name

5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL

PDB chain

8ic2 Chain Ac Residue 406 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8ic2 Respiratory complex CI:CIII2, type I, PERK -/- mouse under cold temperature
Resolution	6.3 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 score	1

External links

PDB	RCSB:8ic2, PDBe:8ic2, PDBj:8ic2
PDBsum	8ic2
PubMed
UniProt	P00158\|CYB_MOUSE Cytochrome b (Gene Name=Mt-Cyb)

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