BioLiP

Receptor Information

>2lbv Chain A (length=157) Species: 93934 (Coturnix japonica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MTVPDRSEIAGKWYVVALASNTEFFLREKDKMKMAMARISFLGEDELKVS
YAVPKPNGCRKWETTFKKTSDDGEVYYSEEAKKKVEVLDTDYKSYAVIYA
TRVKDGRTLHMMRLYSRSPEVSPAATAIFRKLAGERNYTDEMVAMLPRQE
ECTVDEV

Ligand ID

EB4

InChI

InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t16-,17-,18-/m0/s1

InChIKey

SERBHKJMVBATSJ-BZSNNMDCSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=C2OCC(C(=O)OCC(C(=O)OCC2NC(=O)c1cccc(O)c1O)NC(=O)c3cccc(O)c3O)NC(=O)c4cccc(O)c4O
OpenEye OEToolkits 1.5.0	c1cc(c(c(c1)O)O)C(=O)NC2COC(=O)C(COC(=O)C(COC2=O)NC(=O)c3cccc(c3O)O)NC(=O)c4cccc(c4O)O
CACTVS 3.341	Oc1cccc(C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c3cccc(O)c3O)NC(=O)c4cccc(O)c4O)c1O
OpenEye OEToolkits 1.5.0	c1cc(c(c(c1)O)O)C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c3cccc(c3O)O)NC(=O)c4cccc(c4O)O
CACTVS 3.341	Oc1cccc(C(=O)N[CH]2COC(=O)[CH](COC(=O)[CH](COC2=O)NC(=O)c3cccc(O)c3O)NC(=O)c4cccc(O)c4O)c1O

Formula

C30 H27 N3 O15

Name

N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide);
Enterobactin

PDB chain

2lbv Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	2lbv Lipocalin Q83 reveals a dual ligand binding mode with potential implications for the functions of siderocalins
Resolution	N/A
Binding residue (original residue number in PDB)	F25 Y51 V53 W62 K83 R102 M111 R113
Binding residue (residue number reindexed from 1)	F25 Y51 V53 W62 K83 R102 M111 R113
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0036094	small molecule binding
GO:0050544	arachidonate binding
GO:0070538	oleic acid binding
GO:1903981	enterobactin binding

	Biological Process
GO:0042742	defense response to bacterium
GO:0045087	innate immune response

	Cellular Component
GO:0005576	extracellular region

PDB	RCSB:2lbv, PDBe:2lbv, PDBj:2lbv
PDBsum	2lbv
PubMed	21951132
UniProt	Q9I9P7\|EXFAB_COTJA Extracellular fatty acid-binding protein

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Structure of PDB 2lbv Chain A Binding Site BS01