Structure of PDB 3nbd Chain A Binding Site BS01

Receptor Information
>3nbd Chain A (length=148) Species: 117024 (Clitocybe nebularis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SITPGTYNITNVAYTNRLIDLTGSNPAENTLIIGHHLNKTPSGYGNQQWT
LVQLPHTTIYTMQAVNPQSYVRVRDDNLVDGAALVGSQQPTPVSIESAGN
SGQFRIKIPNLGLALTLPSDANSTPIVLGEVDETSTNQLWAFESVSAV
Ligand information
Ligand IDGAL
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain3nbd Chain C Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3nbd Bivalent carbohydrate binding is required for biological activity of Clitocybe nebularis lectin (CNL), the N,N'-diacetyllactosediamine (GalNAc beta 1-4GlcNAc, LacdiNAc)-specific lectin from basidiomycete C. nebularis
Resolution1.15 Å
Binding residue
(original residue number in PDB)		D20 T22 G23 H35
Binding residue
(residue number reindexed from 1)		D20 T22 G23 H35
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0042803 protein homodimerization activity

View graph for
Molecular Function
External links
PDB RCSB:3nbd, PDBe:3nbd, PDBj:3nbd
PDBsum3nbd
PubMed22298779
UniProtB2ZRS9|CNL_CLINE Ricin B-like lectin

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