Structure of PDB 4wv8 Chain C Binding Site BS01

Receptor Information
>4wv8 Chain C (length=238) Species: 77050 (Vatairea macrocarpa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSEVVSFSFTKFNPNPKDIILQGDALVTSKGKLQLTKVKDGKPVDHSLGR
ALYAAPIHIWDDSTDRVASFATSFSFVVEAPDESKTADGIAFFLAPPDTQ
PQKDGGFLGLFNDSIQTVAVEFDTFSNTWDPSARHIGINVNSIESMKYVK
WGWENGKVANVYISYEASTKTLTASLTYPSNATSYIVSANVDLKSALPEW
VRVGFSATSGLSRDHVETHDVLDWSFTSTLQAPSDDSN
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 chain4wv8 Chain G 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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PDB4wv8 Structural characterization of a Vatairea macrocarpa lectin in complex with a tumor-associated antigen: A new tool for cancer research.
Resolution1.83 Å
Binding residue
(original residue number in PDB)		D88 G106 F128 N130 G213 L214 S215 H218
Binding residue
(residue number reindexed from 1)		D88 G106 F125 N127 G210 L211 S212 H215
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4wv8, PDBe:4wv8, PDBj:4wv8
PDBsum4wv8
PubMed26751394
UniProtP81371|LECS_VATMA Seed lectin

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