Structure of PDB 4b4q Chain B Binding Site BS02
Receptor Information
>4b4q Chain B (length=135) Species:
83333
(Escherichia coli K-12) [
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AQVTGTLLGTGKTNTTQMPALYTWQHQIYNVNFIPSSSGTLTCQAGTILV
WKTQYALECRVSIHHSSGSINESQWGQQSQVGFGTACGNKKCRFTGFEIS
LRIPPNAQTYPLSLKGSFSLTNKEVNWSASIYVPA
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
4b4q Chain D Residue 5 [
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Receptor-Ligand Complex Structure
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PDB
4b4q
Structural Insight in Histo-Blood Group Binding by the F18 Fimbrial Adhesin Fedf.
Resolution
2.0 Å
Binding residue
(original residue number in PDB)
Y49 N50 H88 T119 G120
Binding residue
(residue number reindexed from 1)
Y29 N30 H64 T95 G96
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:4b4q
,
PDBe:4b4q
,
PDBj:4b4q
PDBsum
4b4q
PubMed
22812428
UniProt
Q47212
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