Structure of PDB 4i6s Chain C Binding Site BS03
Receptor Information
>4i6s Chain C (length=88) Species:
305
(Ralstonia solanacearum) [
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SVQTAATSWGTVPSIRVYTANNGKITERCWDGKGWYTGAFNEPGDNVSVT
SWLVGSAIHIRVYASTGTTTTEWCADGNGWTKGAYTAT
Ligand information
Ligand ID
FUC
InChI
InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKey
SHZGCJCMOBCMKK-SXUWKVJYSA-N
SMILES
Software
SMILES
CACTVS 3.341
C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04
OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0
CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
CACTVS 3.341
C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
Formula
C6 H12 O5
Name
alpha-L-fucopyranose;
alpha-L-fucose;
6-deoxy-alpha-L-galactopyranose;
L-fucose;
fucose
ChEMBL
CHEMBL1232862
DrugBank
DB04473
ZINC
ZINC000001532814
PDB chain
4i6s Chain C Residue 101 [
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Receptor-Ligand Complex Structure
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PDB
4i6s
Reduction of lectin valency drastically changes glycolipid dynamics in membranes but not surface avidity
Resolution
1.54 Å
Binding residue
(original residue number in PDB)
R62 E73
Binding residue
(residue number reindexed from 1)
R61 E72
Annotation score
4
External links
PDB
RCSB:4i6s
,
PDBe:4i6s
,
PDBj:4i6s
PDBsum
4i6s
PubMed
23855446
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