Structure of PDB 6orh Chain B Binding Site BS01

Receptor Information
>6orh Chain B (length=449) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KIKPHGPLPSQTQLAYLGDELAAFIHFGPNTFYDQEWGTGQEDPERFNPS
QLDAREWVRVLKETGFKKLILVVKHHDGFVLYPTAHTDYSVKVSPWRRGK
GDLLLEVSQAATEFDMDMGVYLSPWDAHSPLYHVDREADYNAYYLAQLKE
ILSNPNYGNAGKFAEVWMNGARGEGAQKVNYEFEKWFETIRDLQGDCLIF
STEGTSIRWIGNQRGYAGDPLWQKVNPDKLGTEAELNYLQHGDPSGTIFS
IGEADVSIRPGWFYHEDQDPKSLEELVEIYFHSVGRGTPLLLNIPPNQAG
LFDAKDIERLYEFATYRNELYKEDLALGAEVSGPALSADFACRHLTDGLE
TSSWASDADLPIQLELDLGSPKTFDVIELREDLKLGQRIAAFHVQVEVDG
VWQEFGSGHTVGYKRLLRGAVVEAQKIRVVITESQALPLLTKISLYKTP
Ligand information
Ligand IDGAL
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain6orh Chain D Residue 2 [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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PDB6orh Two complementary alpha-fucosidases fromStreptococcus pneumoniaepromote complete degradation of host-derived carbohydrate antigens.
Resolution1.62 Å
Binding residue
(original residue number in PDB)		W169 N171 G172 W211 Q215 D257
Binding residue
(residue number reindexed from 1)		W167 N169 G170 W209 Q213 D255
Annotation score2
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004560 alpha-L-fucosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6orh, PDBe:6orh, PDBj:6orh
PDBsum6orh
PubMed31266803
UniProtA0A0H2US78

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