Structure of PDB 1bjq Chain B Binding Site BS03

Receptor Information
>1bjq Chain B (length=253) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANIQSFSFKNFNSPSFILQGDATVSSGKLQLTKVKENGIPTPSSLGRAFY
SSPIQIYDKSTGAVASWATSFTVKISAPSKASFADGIAFALVPVGSEPRR
NGGYLGVFDSDVYNNSAQTVAVEFDTLSNSGWDPSMKHIGIDVNSIKSIA
TVSWDLANGENAEILITYNAATSLLVASLVHPSRRTSYILSERVDITNEL
PEYVSVGFSATTGLSEGYIETHDVLSWSFASKLPDDSTAEPLDLASYLVR
NVL
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain1bjq Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bjq Carbohydrate binding, quaternary structure and a novel hydrophobic binding site in two legume lectin oligomers from Dolichos biflorus.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		L165 T167 V176 S178
Binding residue
(residue number reindexed from 1)		L165 T167 V176 S178
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005537 D-mannose binding
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:1bjq, PDBe:1bjq, PDBj:1bjq
PDBsum1bjq
PubMed10047489
UniProtP05045|LEC1_VIGUC Seed lectin subunit I

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