Structure of PDB 2bt9 Chain B Binding Site BS03

Receptor Information
>2bt9 Chain B (length=88) Species: 305 (Ralstonia solanacearum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSVQTAATSWGTVPSIRVYTANNGKITERCWDGKGWYTGAFNEPGDNVSV
TSWLVGSAIHIRVYASTGTTTTEWCWDGNGWTKGAYTS
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 chain2bt9 Chain B Residue 1090 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bt9 The fucose-binding lectin from Ralstonia solanacearum. A new type of beta-propeller architecture formed by oligomerization and interacting with fucoside, fucosyllactose, and plant xyloglucan.
Resolution0.94 Å
Binding residue
(original residue number in PDB)		R62 E73 G84 A85
Binding residue
(residue number reindexed from 1)		R62 E73 G84 A85
Annotation score1
Binding affinityMOAD: Kd=0.64uM
Enzymatic activity
Enzyme Commision number ?
External links