Structure of PDB 5f8r Chain A Binding Site BS02
Receptor Information
>5f8r Chain A (length=417) Species:
210
(Helicobacter pylori) [
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NLSKLLTRYSTLNTLIKLSADPSAINAARENLGASAKNLIGDTKNSPAYQ
AVLLAINAAVGFWNVLGYATQCGGNANGQESTSSTTIFNNEPGYRSTSIT
CSLNRYKPGYYGPMSIENFKKLNEAYQILQTALNKGLPALKENNGTVSVT
YTYTCSGEGNDNCLPKVTGVDNQNGGTKTKTQTGKTVTTTISSKVVDSQA
KGNTTRVSYTEITNKLDGVPDSAQALLAQASTLINTINTACPYFSVTNKS
GGPQMEPTRGKLCGFTEEISAIQKMITDAQELVNQTSVINEHEQSTPVGG
NNGKPFNPFTDASFAQGMLANASAQAKMLNLAHQVGQTINPDNLTGTFKN
FVTGFLATCNNKGSPPGTVTTQTFASGCAYVEQTITNLNNSIAHFGTQEQ
QIQQAENIADTLVNFGS
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
5f8r Chain E Residue 5 [
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Receptor-Ligand Complex Structure
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PDB
5f8r
Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori.
Resolution
2.44 Å
Binding residue
(original residue number in PDB)
C189 S190 G191 N194 Y245 T246
Binding residue
(residue number reindexed from 1)
C155 S156 G157 N160 Y209 T210
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:5f8r
,
PDBe:5f8r
,
PDBj:5f8r
PDBsum
5f8r
PubMed
26764597
UniProt
O52269
;
Q6DSZ5
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