Structure of PDB 2aco Chain A Binding Site BS01

Receptor Information
>2aco Chain A (length=168) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HLESTSLYKKAGSTPPRGVTVVNNFDAKRYLGTWYEIARFDHRFERGLEK
VTATYSLRDDGGLNVINKGYNPDRGMWQQSEGKAYFTGAPTRAALKVSFF
GPFYGGYNVIALDREYRHALVCGPDRDYLWILSRTPTISDEVKQEMLAVA
TREGFDVSKFIWVQQPGS
Ligand information
Ligand IDVCA
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-
InChIKeyUWHZIFQPPBDJPM-FPLPWBNLSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CCCCCCCCC\C=C/CCCCCC
CACTVS 3.370CCCCCC\C=C/CCCCCCCCCC(O)=O
OpenEye OEToolkits 1.7.6CCCCCCC=CCCCCCCCCCC(=O)O
CACTVS 3.370CCCCCCC=CCCCCCCCCCC(O)=O
FormulaC18 H34 O2
NameVACCENIC ACID;
(11E)-OCTADEC-11-ENOIC ACID
ChEMBLCHEMBL1236642
DrugBankDB04801
ZINCZINC000014881303
PDB chain2aco 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

[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]
PDB2aco The membrane bound bacterial lipocalin Blc is a functional dimer with binding preference for lysophospholipids.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R52 F112
Binding residue
(residue number reindexed from 1)		R43 F103
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006950 response to stress
GO:0006974 DNA damage response
Cellular Component
GO:0009279 cell outer membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2aco, PDBe:2aco, PDBj:2aco
PDBsum2aco
PubMed16920109
UniProtP0A901|BLC_ECOLI Outer membrane lipoprotein Blc (Gene Name=blc)

[Back to BioLiP]