Structure of PDB 4nv6 Chain A Binding Site BS01

Receptor Information
>4nv6 Chain A (length=264) Species: 321332 (Synechococcus sp. JA-2-3B'a(2-13)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RHSRLILAILAGLGSLLTAYLTYTKLTEQPAAFCTGDGGCDLVLSSRWAE
FLGIPTAAVGLLGFLGVLALAVLPDLPLVKRWRWPALFGLVSAMTAFEMY
MLYLMVAVLRQFCMYCTTAIILVAGLGLVTVLGHRWLGGKLAFSYILVAF
LTLVTTIGVYANQVPPPSPLAVGLAAHLRQIGGTMYGAYWCPHAQDQKEL
FGAAFDQVPYVECSPNGPGTPQAQECTEAGITSYPTWIINGRTYTGVRSL
EALAVASGYPLEEG
Ligand information
Ligand IDU10
InChIInChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+
InChIKeyACTIUHUUMQJHFO-UPTCCGCDSA-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)CCC=C(C)CCC=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)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)CC\C=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)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)\CC\C=C(/C)\CCC=C(C)C
FormulaC59 H90 O4
NameUBIQUINONE-10;
Coenzyme Q10
ChEMBLCHEMBL454801
DrugBankDB09270
ZINCZINC000085427689
PDB chain4nv6 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4nv6 Structures of an intramembrane vitamin K epoxide reductase homolog reveal control mechanisms for electron transfer.
Resolution4.19 Å
Binding residue
(original residue number in PDB)		K41 V59 L60 A65 G76 M111 F114 E115 M118 M122 C133 T173
Binding residue
(residue number reindexed from 1)		K25 V43 L44 A49 G60 M94 F97 E98 M101 M105 C116 T155
Annotation score4
Enzymatic activity
Enzyme Commision number 1.17.4.-
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0048038 quinone binding
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4nv6, PDBe:4nv6, PDBj:4nv6
PDBsum4nv6
PubMed24477003
UniProtQ2JJF6|VKOR_SYNJB Vitamin K epoxide reductase homolog (Gene Name=CYB_2278)

[Back to BioLiP]