Structure of PDB 1bkj Chain B Binding Site BS02
Receptor Information
>1bkj Chain B (length=230) Species:
669
(Vibrio harveyi) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
NNTIETILAHRSIRKFTAVPITDEQRQTIIQAGLAASSSSMLQVVSIVRV
TDSEKRNELAQFAGNQAYVESAAEFLVFCIDYQRHATINPDVQADFTELT
LIGAVDSGIMAQNCLLAAESMGLGGVYIGGLRNSAAQVDELLGLPENSAV
LFGMCLGHPDQNPEVKPRLPAHVVVHENQYQELNLDDIQSYDQTMQAYYS
TWSQEVTGKLAGESRPHILPYLNSKGLAKR
Ligand information
Ligand ID
FMN
InChI
InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKey
FVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01
N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385
Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385
Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
Formula
C17 H21 N4 O9 P
Name
FLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBL
CHEMBL1201794
DrugBank
DB03247
ZINC
ZINC000003831425
PDB chain
1bkj Chain B Residue 241 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure 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
]
PDB
1bkj
Flavin reductase P: structure of a dimeric enzyme that reduces flavin.
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
H11 R12 S13 R15 Q67 Y128 I129 G130 R169
Binding residue
(residue number reindexed from 1)
H10 R11 S12 R14 Q66 Y127 I128 G129 R168
Annotation score
2
Binding affinity
MOAD
: Kd=0.17uM
PDBbind-CN
: -logKd/Ki=6.77,Kd=0.17uM
Enzymatic activity
Enzyme Commision number
1.5.1.38
: FMN reductase (NADPH).
Gene Ontology
Molecular Function
GO:0008752
FMN reductase (NAD(P)H) activity
GO:0016491
oxidoreductase activity
GO:0052873
FMN reductase (NADPH) activity
Biological Process
GO:0008218
bioluminescence
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:1bkj
,
PDBe:1bkj
,
PDBj:1bkj
PDBsum
1bkj
PubMed
8885832
UniProt
Q56691
|FRP_VIBHA NADPH-flavin oxidoreductase (Gene Name=frp)
[
Back to BioLiP
]