Structure of PDB 4nv5 Chain B Binding Site BS01

Receptor Information
>4nv5 Chain B (length=262) 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]
TWLQRHSRLILAILAGLGSLLTAYLTYTKLTEQPAAGGCDLVLSSRWAEF
LGIPTAAVGLLGFLGVLALAVLPDGLPLVKRWRWPALFGLVSAMTAFEMY
MLYLMVAVLRQFCMYCTTAIILVAGLGLVTVLGHRWLDGGKLAFSYILVA
FLTLVTTIGVYANQVPPPSPLAVGLAAHLRQIGGTMYGAYWCPHCQDQKE
LFGAAFDQVPYVECSPNGPGTPQAQECTEAGITSYPTWIINGRTYTGVRS
LEALAVASGYPL
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 chain4nv5 Chain B Residue 501 [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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PDB4nv5 Structures of an intramembrane vitamin K epoxide reductase homolog reveal control mechanisms for electron transfer.
Resolution2.79 Å
Binding residue
(original residue number in PDB)		V59 L60 A65 G76 A110 M111 F114 E115 M118 M122 C133 I137
Binding residue
(residue number reindexed from 1)		V42 L43 A48 G59 A93 M94 F97 E98 M101 M105 C116 I120
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:4nv5, PDBe:4nv5, PDBj:4nv5
PDBsum4nv5
PubMed24477003
UniProtQ2JJF6|VKOR_SYNJB Vitamin K epoxide reductase homolog (Gene Name=CYB_2278)

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