Structure of PDB 1x71 Chain A Binding Site BS02

Receptor Information
>1x71 Chain A (length=175) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQKMY
ATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGSQPGEFTLGNIKSYPG
LTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKENF
IRFSKSLGLPENHIVFPVPIDQCID
Ligand information
Ligand IDDB1
InChIInChI=1S/C7H7NO3/c8-7(11)4-2-1-3-5(9)6(4)10/h1-3,9-10H,(H2,8,11)
InChIKeyQCIDBNKTKNBPKM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)c1cccc(O)c1O
ACDLabs 10.04O=C(c1cccc(O)c1O)N
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)O)O)C(=O)N
FormulaC7 H7 N O3
Name2,3-DIHYDROXYBENZAMIDE;
TRENCAM-3,2-HOPO
ChEMBL
DrugBankDB04476
ZINC
PDB chain1x71 Chain A Residue 202 [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]
PDB1x71 Siderocalin (Lcn 2) Also Binds Carboxymycobactins, Potentially Defending against Mycobacterial Infections through Iron Sequestration
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S68 R81 K134
Binding residue
(residue number reindexed from 1)		S66 R79 K132
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1x71, PDBe:1x71, PDBj:1x71
PDBsum1x71
PubMed15642259
UniProtP80188|NGAL_HUMAN Neutrophil gelatinase-associated lipocalin (Gene Name=LCN2)

[Back to BioLiP]