Structure of PDB 3eyc Chain B Binding Site BS01

Receptor Information
>3eyc Chain B (length=140) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVSGTWYLKAMTVDREFPEMNLESVTPMTLTTLNLEAKVTMLISGRCQEV
KAVLEKTDEPGKYTADGGKHVAYIIRSHVKDHYIFYSEGELHGKPVRGVK
LVGRDPKNNLEALEDFEKAAGARGLSTESILIPRQSETCS
Ligand information
Ligand IDBU1
InChIInChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
InChIKeyWERYXYBDKMZEQL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		OCCCCO
OpenEye OEToolkits 1.5.0C(CCO)CO
FormulaC4 H10 O2
Name1,4-BUTANEDIOL
ChEMBLCHEMBL171623
DrugBankDB01955
ZINCZINC000001599375
PDB chain3eyc Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3eyc A new crystal form of human tear lipocalin reveals high flexibility in the loop region and induced fit in the ligand cavity
Resolution2.6 Å
Binding residue
(original residue number in PDB)		L41 F99
Binding residue
(residue number reindexed from 1)		L30 F85
Annotation score1
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:3eyc, PDBe:3eyc, PDBj:3eyc
PDBsum3eyc
PubMed19770509
UniProtP31025|LCN1_HUMAN Lipocalin-1 (Gene Name=LCN1)

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