Structure of PDB 4i4u Chain B Binding Site BS02

Receptor Information
>4i4u Chain B (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 IDGLA
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-PHYPRBDBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-galactopyranose;
alpha-D-galactose;
D-galactose;
galactose;
ALPHA D-GALACTOSE
ChEMBLCHEMBL1233058
DrugBank
ZINCZINC000000901155
PDB chain4i4u Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4i4u BEL {beta}-trefoil: A novel lectin with antineoplastic properties in king bolete (Boletus edulis) mushrooms.
Resolution1.57 Å
Binding residue
(original residue number in PDB)		Y119 R121 D138 Q139
Binding residue
(residue number reindexed from 1)		Y119 R121 D138 Q139
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links