Structure of PDB 2wmh Chain A Binding Site BS02

Receptor Information

>2wmh Chain A (length=553) Species: 170187 (Streptococcus pneumoniae TIGR4)

VQMRTTINNESPLLLSPLYGNDNGNGLWWGNTLKGAWEAIPEDVKPYAAI
ELHPAKVCKPTSCIPRDTKELREWYVKMLEEAQSLNIPVFLVIMSAGERN
TVPPEWLDEQFQKYSVLKGVLNIENYWIYNNQLAPHSAKYLEVCAKYGAH
FIWHDHEKWFWETIMNDPTFFEASQKYHKNLVLATKNTPIRDDAGTDSIV
SGFWLSGLCDNWGSSTDTWKWWEKHYTNTFETGRARDMRSYASEPESMIA
MEMMNVYTGGGTVYNFECAAYTFMTNDVPTPAFTKGIIPFFRHAIQNPAP
SKEEVVNRTKAVFWNGEGRISSLNGFYQGLYSNDETMPLYNNGRYHILPV
IHEKIDKEKISSIFPNAKILTKNSEELSSKVNYLNSLYPKLYEGDGYAQR
VGNSWYIYNSNANINKNQQVMLPMYTNNTKSLSLDLTPHTYAVVKENPNN
LHILLNNYRTDKTAMWALSGNFDASKSWKKEELELANWISKNYSINPVDN
DFRTTTLTLKGHHKPQINISGDKNHYTYTENWDENTHVYTITVNHNGMVE
MSI

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:
  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: 2wmh Chain B Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2wmh Differential Recognition and Hydrolysis of Host Carbohydrate-Antigens by Streptococcus Pneumoniae Family 98 Glycoside Hydrolases.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): Y53 H87 C97 S129 E158 E301
• Binding residue (residue number reindexed from 1): Y19 H53 C63 S95 E124 E267
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:2wmh, PDBe:2wmh, PDBj:2wmh
• PDBsum: 2wmh
• PubMed: 19608744
• UniProt: A0A0H2US34