Structure of PDB 6or4 Chain A Binding Site BS01

Receptor Information

>6or4 Chain A (length=449) Species: 170187 (Streptococcus pneumoniae TIGR4)

KIKPHGPLPSQTQLAYLGDELAAFIHFGPNTFYDQEWGTGQEDPERFNPS
QLDAREWVRVLKETGFKKLILVVKHHDGFVLYPTAHTDYSVKVSPWRRGK
GDLLLEVSQAATEFDMDMGVYLSPWDAHSPLYHVDREADYNAYYLAQLKE
ILSNPNYGNAGKFAEVWMNGARGEGAQKVNYEFEKWFETIRDLQGDCLIF
STEGTSIRWIGNQRGYAGDPLWQKVNPDKLGTEAELNYLQHGDPSGTIFS
IGEADVSIRPGWFYHEDQDPKSLEELVEIYFHSVGRGTPLLLNIPPNQAG
LFDAKDIERLYEFATYRNELYKEDLALGAEVSGPALSADFACRHLTDGLE
TSSWASDADLPIQLELDLGSPKTFDVIELREDLKLGQRIAAFHVQVEVDG
VWQEFGSGHTVGYKRLLRGAVVEAQKIRVVITESQALPLLTKISLYKTP

Ligand information

• Ligand ID: GAL
• InChI: InChI=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
• InChIKey: WQZGKKKJIJFFOK-FPRJBGLDSA-N
• SMILES:
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.7.2: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
  OpenEye OEToolkits 1.7.2: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
• Formula: C6 H12 O6
• Name: beta-D-galactopyranose;
  beta-D-galactose;
  D-galactose;
  galactose
• ChEMBL: CHEMBL300520
• ZINC: ZINC000002597049
• PDB chain: 6or4 Chain C Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6or4 Two complementary alpha-fucosidases fromStreptococcus pneumoniaepromote complete degradation of host-derived carbohydrate antigens.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): W169 N171 G172 A173 F202 W211 Q215 D257
• Binding residue (residue number reindexed from 1): W167 N169 G170 A171 F200 W209 Q213 D255
• Annotation score: 2

Gene Ontology

Molecular Function

• GO:0004560 alpha-L-fucosidase activity

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:6or4, PDBe:6or4, PDBj:6or4
• PDBsum: 6or4
• PubMed: 31266803
• UniProt: A0A0H2US78