Structure of PDB 8r8a Chain A Binding Site BS01

Receptor Information
>8r8a Chain A (length=127) Species: 3656 (Cucumis melo) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSRSTHLVGQDGLCLDVIGGYSDNHVPTQLWPCGPQNNQLWTIQADGTIR
TMGKCLVPNGHDPGSYTMIDDCNKADPNDKTWKLYPDGTLTHVRSSLVLT
SQGTGAYAITTIETNTSAPTQSWGTAD
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 chain8r8a 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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PDB8r8a Elucidating the Glycan-Binding Specificity and Structure of Cucumis melo Agglutinin, a New R-Type Lectin
Resolution1.317 Å
Binding residue
(original residue number in PDB)		D21 G24 Q34 W36 Q41
Binding residue
(residue number reindexed from 1)		D16 G19 Q29 W31 Q36
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links