Structure of PDB 2kt4 Chain B Binding Site BS01

Receptor Information
>2kt4 Chain B (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 information
Ligand IDEB4
InChIInChI=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
InChIKeySERBHKJMVBATSJ-BZSNNMDCSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C2OCC(C(=O)OCC(C(=O)OCC2NC(=O)c1cccc(O)c1O)NC(=O)c3cccc(O)c3O)NC(=O)c4cccc(O)c4O
OpenEye OEToolkits 1.5.0c1cc(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 3.341Oc1cccc(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 1.5.0c1cc(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 3.341Oc1cccc(C(=O)N[CH]2COC(=O)[CH](COC(=O)[CH](COC2=O)NC(=O)c3cccc(O)c3O)NC(=O)c4cccc(O)c4O)c1O
FormulaC30 H27 N3 O15
NameN,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide);
Enterobactin
ChEMBLCHEMBL432995
DrugBank
ZINC
PDB chain2kt4 Chain B Residue 158 [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]
PDB2kt4 The v-myc-induced Q83 lipocalin is a siderocalin.
ResolutionN/A
Binding residue
(original residue number in PDB)		F25 K29 Y51 T64 F66 K83 R102 M111 R113
Binding residue
(residue number reindexed from 1)		F25 K29 Y51 T64 F66 K83 R102 M111 R113
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2kt4, PDBe:2kt4, PDBj:2kt4
PDBsum2kt4
PubMed20826777
UniProtQ9I9P7|EXFAB_COTJA Extracellular fatty acid-binding protein

[Back to BioLiP]