Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T72010 | Target Info | |||
| Target Name | Neutrophil gelatinase-associated lipocalin (LCN2) | ||||
| Synonyms | p25; Siderocalin LCN2; Oncogene 24p3; NGAL; Lipocalin-2; LCN2; 25 kDa alpha-2-microglobulin-related subunit of MMP-9 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | LCN2 | ||||
| Biochemical Class | Calycin family | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | N-(2,3-dihydroxybenzoyl)-L-serine | Ligand Info | |||
| Canonical SMILES | C1=CC(=C(C(=C1)O)O)C(=O)NC(CO)C(=O)O | ||||
| InChI | 1S/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)/t6-/m0/s1 | ||||
| InChIKey | VDTYHTVHFIIEIL-LURJTMIESA-N | ||||
| PubChem Compound ID | 151483 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3CBC Crystal structure of Siderocalin (NGAL, Lipocalin 2) Y106F complexed with Ferric Enterobactin | ||||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | Yes | [1] |
| PDB Sequence |
STSDLIPAPP
12 LSKVPLQQNF22 QDNQFQGKWY32 VVGLAGNAIL42 REDKDPQKMY52 ATIYELKEDK 62 SYNVTSVLFR72 KKKCDYWIRT82 FVPGSQPGEF92 TLGNIKSYPG102 LTSFLVRVVS 112 TNYNQHAMVF122 FKKVSQNREY132 FKITLYGRTK142 ELTSELKENF152 IRFSKSLGLP 162 ENHIVFPVPI172 DQCIDG
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| PDB ID: 3BY0 Crystal structure of Siderocalin (NGAL, Lipocalin 2) W79A-R81A complexed with Ferric Enterobactin | ||||||
| Method | X-ray diffraction | Resolution | 2.57 Å | Mutation | Yes | [1] |
| PDB Sequence |
SDLIPAPPLS
14 KVPLQQNFQD24 NQFQGKWYVV34 GLAGNAILRE44 DKDPQKMYAT54 IYELKEDKSY 64 NVTSVLFRKK74 KCDYAIATFV84 PGSQPGEFTL94 GNIKSYPGLT104 SYLVRVVSTN 114 YNQHAMVFFK124 KVSQNREYFK134 ITLYGRTKEL144 TSELKENFIR154 FSKSLGLPEN 164 HIVFPVPIDQ174 CIDG
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| PDB ID: 1L6M Neutrophil Gelatinase-associated Lipocalin is a Novel Bacteriostatic Agent that Interferes with Siderophore-mediated Iron Acquisition | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [2] |
| PDB Sequence |
TSDLIPAPPL
13 SKVPLQQNFQ23 DNQFQGKWYV33 VGLAGNAILR43 EDKDPQKMYA53 TIYELKEDKS 63 YNVTSVLFRK73 KKCDYWIRTF83 VPGSQPGEFT93 LGNIKSYPGL103 TSYLVRVVST 113 NYNQHAMVFF123 KKVSQNREYF133 KITLYGRTKE143 LTSELKENFI153 RFSKSLGLPE 163 NHIVFPVPID173 QCID
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| PDB ID: 3K3L Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with apo Enterobactin | ||||||
| Method | X-ray diffraction | Resolution | 2.62 Å | Mutation | Yes | [3] |
| PDB Sequence |
TSDLIPAPPL
13 SKVPLQQNFQ23 DNQFQGKWYV33 VGLAGNAILR43 EDKDPQKMYA53 TIYELKEDKS 63 YNVTSVLFRK73 KKCDYWIRTF83 VPGSQPGEFT93 LGNIKSYPGL103 TSYLVRVVST 113 NYNQHAMVFF123 KKVSQNREYF133 KITLYGRTKE143 LTSELKENFI153 RFSKSLGLPE 163 NHIVFPVPID173 QCIDG
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Click to Show 3D Structure of This Binding Site
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | The siderocalin/enterobactin interaction: a link between mammalian immunity and bacterial iron transport. J Am Chem Soc. 2008 Aug 27;130(34):11524-34. | ||||
| REF 2 | The neutrophil lipocalin NGAL is a bacteriostatic agent that interferes with siderophore-mediated iron acquisition. Mol Cell. 2002 Nov;10(5):1033-43. | ||||
| REF 3 | Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands | ||||
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