Structure of PDB 4qae Chain D Binding Site BS01

Receptor Information

>4qae Chain D (length=164) Species: 9606 (Homo sapiens)

DLIPAPPLSKVPLQQNFQDNQFHGKWYVVGLAGNEVLREDKDPMKMWATI
YELEEDKSYNVTIVMPLAEKCEYLFQTFVPGSQPGEFTLGTSGLVRVVST
NYNQHAMVFFKVVWQNREVFWVTLYGRTKELTSELKENFIRFSKSLGLPE
NHIVFPVPIDQCID

Ligand information

>4qae Chain S (length=24) Species: 9606 (Homo sapiens)

THFPICIFCCGCCHRSKCGMCCKT

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4qae Structure of a hepcidin-binding anticalin in complex with its peptide ligand
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): E40 L42 E44 W52 I68 M70 L79 Q81 V125 W127 R130 V132 W134
• Binding residue (residue number reindexed from 1): E35 L37 E39 W47 I63 M65 L74 Q76 V112 W114 R117 V119 W121

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

External links

• PDB: RCSB:4qae, PDBe:4qae, PDBj:4qae
• PDBsum: 4qae
• UniProt: P80188|NGAL_HUMAN Neutrophil gelatinase-associated lipocalin (Gene Name=LCN2)