Structure of PDB 8b6h Chain DA Binding Site BS07

Receptor Information
>8b6h Chain DA (length=671) Species: 312017 (Tetrahymena thermophila SB210) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NYFYYLDRIKKLFTYLNDLRKHILKKYVYTINHKRIAINYLYFSMVTGLS
GAALATMIRLELAHPGSPFFKGDSLRYLQVVTAHGLIMVFFVVVPILFGG
FANFLIPYHVGSKDVAYPRLNSIGFWIQPCGYILLAKIGFLRPQFWRYYD
KTSFSFPFLEKMKYNQYKEYKNDYLFYLDFLKKEITDDHSFFWKARKVIK
LPQYSVFSFVPLKLMMWKTMINYPESFWYAASRVVQSRRKKVFVTKCSAR
TLTTAGWTFITPFSSNIKYTAVGSQDILILSVVFAGISTTISFTNLLITR
RTLAMPGLRHRRVLMPFVTISIFLTLRMLATITPVLGAAVIMMAFDRHWQ
TTFFEYAYGGDPILSQHLFWFFGHPEVYVLIIPTFGFINMIVPHNNTRRV
ASKHHMIWAIYVMAYMGYLVWGHHMYLVGLDHRSRTMYSTITIMISMPAT
IKVVNWTLSLVNGALKIDLPFLFSMSFLLLFLVAGFTGMWLSHVSLNVSM
HDTFYVVAHFHIMLSGAAMTGIFSGIYYYFNALFGVKYSRMFGYMHLIYY
SGGQWVAFVPLFYLGFSGMPRRIHDYPVVFMGWHSMSTTGHFITLVGIIF
FFLMMFDSHIERRASTSTTLGLPRWYKRISYYIFKIRYLQHTKSKMNGIP
GSTVRLMLINRHFVEYEVYEK
Ligand information
Ligand IDUQ8
InChIInChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+
InChIKeyICFIZJQGJAJRSU-SGHXUWJISA-N
SMILES
SoftwareSMILES
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)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=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)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)C
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)\CCC=C(C)C
FormulaC49 H74 O4
NameUbiquinone-8;
2,3-dimethoxy-5-methyl-6-[(6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-oc taen-1-yl]cyclohexa-2,5-diene-1,4-dione
ChEMBL
DrugBank
ZINCZINC000058633050
PDB chain8b6h Chain EN Residue 1204 [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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PDB8b6h Structural basis of mitochondrial membrane bending by the I-II-III 2 -IV 2 supercomplex.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		L496 Y566 W572 F617
Binding residue
(residue number reindexed from 1)		L479 Y549 W555 F600
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.9: cytochrome-c oxidase.
Gene Ontology
Molecular Function
GO:0004129 cytochrome-c oxidase activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006119 oxidative phosphorylation
GO:0006123 mitochondrial electron transport, cytochrome c to oxygen
GO:0009060 aerobic respiration
GO:0015990 electron transport coupled proton transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8b6h, PDBe:8b6h, PDBj:8b6h
PDBsum8b6h
PubMed36949187
UniProtQ950Y4

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