Structure of PDB 6gfs Chain A Binding Site BS01

Receptor Information
>6gfs Chain A (length=162) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTP
EGDLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYK
KYLLFCMENSAEPEQSLACQCLVRTPEVDDEALEKFDKALKALPMHIRLS
FNPTQLEEQCHI
Ligand information
Ligand IDF15
InChIInChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
InChIKeyWQEPLUUGTLDZJY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCC(=O)O
CACTVS 3.341CCCCCCCCCCCCCCC(O)=O
ACDLabs 10.04O=C(O)CCCCCCCCCCCCCC
FormulaC15 H30 O2
NamePENTADECANOIC ACID
ChEMBLCHEMBL460025
DrugBank
ZINCZINC000030731069
PDB chain6gfs Chain A Residue 201 [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]
PDB6gfs Thermodynamic, crystallographic and computational studies of non-mammalian fatty acid binding to bovine beta-Lactoglobulin.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		V92 F105 M107
Binding residue
(residue number reindexed from 1)		V92 F105 M107
Annotation score1
Binding affinityMOAD: Kd=0.000000064M
PDBbind-CN: -logKd/Ki=6.54,Kd=0.291uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0019841 retinol binding
GO:0036041 long-chain fatty acid binding
GO:0036094 small molecule binding
GO:0042802 identical protein binding
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:6gfs, PDBe:6gfs, PDBj:6gfs
PDBsum6gfs
PubMed29879410
UniProtP02754|LACB_BOVIN Beta-lactoglobulin (Gene Name=LGB)

[Back to BioLiP]