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Receptor Information

>4zfx Chain C (length=173) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQKMYAT
IYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGSQPGEFTLGNIKSYPGLT
SYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKENFIR
FSKSLGLPENHIVFPVPIDQCID

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

4zfx Chain C Residue 202 [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	4zfx Siderocalin-mediated recognition, sensitization, and cellular uptake of actinides.
Resolution	2.55 Å
Binding residue (original residue number in PDB)	Y106 K125 Y132 K134
Binding residue (residue number reindexed from 1)	Y102 K121 Y128 K130
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0005506	iron ion binding
GO:0005515	protein binding
GO:0036094	small molecule binding
GO:0042802	identical protein binding
GO:0140315	iron ion sequestering activity
GO:1903981	enterobactin binding

	Biological Process
GO:0006826	iron ion transport
GO:0006915	apoptotic process
GO:0015891	siderophore transport
GO:0042742	defense response to bacterium
GO:0045087	innate immune response
GO:0120162	positive regulation of cold-induced thermogenesis

	Cellular Component
GO:0005576	extracellular region
GO:0005615	extracellular space
GO:0031410	cytoplasmic vesicle
GO:0035580	specific granule lumen
GO:0060205	cytoplasmic vesicle lumen
GO:0070062	extracellular exosome

PDB	RCSB:4zfx, PDBe:4zfx, PDBj:4zfx
PDBsum	4zfx
PubMed	26240330
UniProt	P80188\|NGAL_HUMAN Neutrophil gelatinase-associated lipocalin (Gene Name=LCN2)

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Structure of PDB 4zfx Chain C Binding Site BS01