Structure of PDB 4i4s Chain B Binding Site BS01

Receptor Information
>4i4s 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]
VNFPNIPAEGAQFRLRARDTGYVIYSRTENPPLVWQYNGPPYDDQLFTLI
YGTGPHQNLYAIKSVPNGRVLFSRTSASPHVGNIAGDGTYNDNWFQFIQD
DNDPNSFRIYSLASDTVLYSRTTPDPQFGNYTGAKYDDQLWHFELV
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 chain4i4s Chain F 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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PDB4i4s BEL {beta}-trefoil: A novel lectin with antineoplastic properties in king bolete (Boletus edulis) mushrooms.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		Y119 R121 Y131 Y136 D138 Q139
Binding residue
(residue number reindexed from 1)		Y119 R121 Y131 Y136 D138 Q139
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links