Structure of PDB 4i4y Chain D Binding Site BS01

Receptor Information
>4i4y Chain D (length=146) Species: 36056 (Boletus edulis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VNFPNIPAEGVQFRLRARDTGYVIYSRTENPPLVWQYNGPPYDDQLFTLI
YGTGPRKNLYAIKSVPNGRVLFSRTSASPYVGNIAGDGTYNDNWFQFIQD
DNDPNSFRIYNLASDTVLYSRTTADPKFGNFTGAKYDDQLWHFELV
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 chain4i4y Chain I 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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PDB4i4y BEL {beta}-trefoil: A novel lectin with antineoplastic properties in king bolete (Boletus edulis) mushrooms.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		F72 R74 I84 Y90 D92
Binding residue
(residue number reindexed from 1)		F72 R74 I84 Y90 D92
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links