Structure of PDB 5f93 Chain E Binding Site BS02

Receptor Information
>5f93 Chain E (length=420) Species: 210 (Helicobacter pylori) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NYENLSKLLTRYSTLNTLIKLSADPSAINAARENLGASAKNLIGDTKNSP
AYQAVLLAINAAVGFWNVLGYATQCGGNANGQESTSSTTIFNNEPGYRST
SITCSLNRYKPGYYGPMSIENFKKLNEAYQILQTALNKGLPALKENNGTI
KDVTYSYICYGEGNNNCEIKLADGQKLQQNGGSETTTTVSTTISSKVVDS
TAADNTYKQSYTEITNALKDVPDSAQALLAQASTLINTINTACPYFSVTN
KSGGPQMEPTRGKLCGFTEEISAIQKMITDAQELVNQTSVINEHEQSTPV
GGNNGKPFNPFTDASFAQGMLANASAQAKMLNLAHQVGQTINPDNLTGTF
KNFVTGFLATCNNKGSPPGTVTTQTFASGCAYVEQTITNLNNSIAHFGTQ
EQQIQQAENIADTLVNFGSH
Ligand information
Ligand IDFUC
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKeySHZGCJCMOBCMKK-SXUWKVJYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O5
Namealpha-L-fucopyranose;
alpha-L-fucose;
6-deoxy-alpha-L-galactopyranose;
L-fucose;
fucose
ChEMBLCHEMBL1232862
DrugBankDB04473
ZINCZINC000001532814
PDB chain5f93 Chain K Residue 5 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5f93 Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori.
Resolution2.99 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 score4
Enzymatic activity
Enzyme Commision number ?
External links