Structure of PDB 6trv Chain BBB Binding Site BS03

Receptor Information
>6trv Chain BBB (length=294) Species: 563466 (Scedosporium apiospermum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGVLQISFPAGIAAIRNNSSLRVYEAALDGGVREAQYEGRWAGGKPDNVI
ATGKIGTPIAATSVGFQYIRVYYVGADNKAREACWDGKGWYTGAFVKDVA
PYSSIGAVFLGKNIVVRVYTQNHDNTIQEWVWDSPSTGWTAGANFGAALP
GTAIAATSWGAGPYHIRVYFQDTNRNVIESGWDGSGWYTGGLKISNQSPR
ASLGATSWGESGSSLGIRLYYATQDNLIKEKAWDGGGGWYDGGFQQRSIP
GSRVAAIPLPVLRVYLQNGTEVSGITEYAWNSGWVVGQAVLPPA
Ligand information
Ligand IDMFU
InChIInChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1
InChIKeyOHWCAVRRXKJCRB-CXNFULCWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)OC)O)O)O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O
ACDLabs 10.04OC1C(O)C(O)C(OC1OC)C
CACTVS 3.341CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1O
CACTVS 3.341CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
FormulaC7 H14 O5
Namemethyl alpha-L-fucopyranoside;
ALPHA-L-METHYL-FUCOSE;
methyl 6-deoxy-alpha-L-galactopyranoside;
methyl alpha-L-fucoside;
methyl L-fucoside;
methyl fucoside
ChEMBLCHEMBL1234282
DrugBankDB03879
ZINCZINC000002509839
PDB chain6trv Chain BBB Residue 303 [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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PDB6trv Biochemical and structural studies of target lectin SapL1 from the emerging opportunistic microfungus Scedosporium apiospermum.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R219 E231 G244 W281 W285
Binding residue
(residue number reindexed from 1)		R218 E230 G243 W280 W284
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links