Structure of PDB 5f93 Chain E Binding Site BS02
Receptor Information
>5f93 Chain E (length=420) Species:
210
(Helicobacter pylori) [
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NYENLSKLLTRYSTLNTLIKLSADPSAINAARENLGASAKNLIGDTKNSP
AYQAVLLAINAAVGFWNVLGYATQCGGNANGQESTSSTTIFNNEPGYRST
SITCSLNRYKPGYYGPMSIENFKKLNEAYQILQTALNKGLPALKENNGTI
KDVTYSYICYGEGNNNCEIKLADGQKLQQNGGSETTTTVSTTISSKVVDS
TAADNTYKQSYTEITNALKDVPDSAQALLAQASTLINTINTACPYFSVTN
KSGGPQMEPTRGKLCGFTEEISAIQKMITDAQELVNQTSVINEHEQSTPV
GGNNGKPFNPFTDASFAQGMLANASAQAKMLNLAHQVGQTINPDNLTGTF
KNFVTGFLATCNNKGSPPGTVTTQTFASGCAYVEQTITNLNNSIAHFGTQ
EQQIQQAENIADTLVNFGSH
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
5f93 Chain K Residue 5 [
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Receptor-Ligand Complex Structure
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PDB
5f93
Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori.
Resolution
2.99 Å
Binding residue
(original residue number in PDB)
C190 Y191 G192 N195 Y248 T249
Binding residue
(residue number reindexed from 1)
C159 Y160 G161 N164 Y211 T212
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:5f93
,
PDBe:5f93
,
PDBj:5f93
PDBsum
5f93
PubMed
26764597
UniProt
O52269
;
Q6DSX7
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