Structure of PDB 1xki Chain A Binding Site BS03

Receptor Information
>1xki Chain A (length=128) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVSGTWYLKAMTVNLESVTPMTLTTLEGGNLEAKVTMSGRCQEVKAVLEK
TDEPGKYTADGGKHVAYIIRSHVKDHYIFYSEGEGKPVRGVKLVGRDPKN
NLEALEDFEKAAGARGLSTESILIPRQS
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1xki Chain A Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xki The 1.8-A crystal structure of human tear lipocalin reveals an extended branched cavity with capacity for multiple ligands
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H92 D129
Binding residue
(residue number reindexed from 1)		H72 D107
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004869 cysteine-type endopeptidase inhibitor activity
GO:0005102 signaling receptor binding
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0031404 chloride ion binding
GO:0036094 small molecule binding
Biological Process
GO:0006508 proteolysis
GO:0050909 sensory perception of taste
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1xki, PDBe:1xki, PDBj:1xki
PDBsum1xki
PubMed15489503
UniProtP31025|LCN1_HUMAN Lipocalin-1 (Gene Name=LCN1)

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