Structure of PDB 6trv Chain BBB Binding Site BS01

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 301 [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)		R71 E83 A95 W133 W140
Binding residue
(residue number reindexed from 1)		R70 E82 A94 W132 W139
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links