Structure of PDB 2nzy Chain A Binding Site BS01

Receptor Information

>2nzy Chain A (length=343) Species: 210 (Helicobacter pylori)

MFQPLLDAYVESASIEKMASKSPPPLKIAVANWWGDEEIKEFKNSVLYFI
LSQRYTITLHQNPNEFSDLVFGNPYQNAKRVFYTGENESPNFNLFDYAIG
FDELDFNDRYLRMPLYYDRLHHKAESVNDTTAPYKLKDNSLYALKKPSHC
FKEKHPNLCAVVNDESDPLKRGFASFVASNPNAPIRNAFYDALNSIEPVT
GGGSVRNTLGYNVKNKNEFLSQYKFNLCFENTQGYGYVTEKIIDAYFSHT
IPIYWGSPSVAKDFNPKSFVNVHDFKNFDEAIDYIKYLHTHKNAYLDMLY
ENPLNTLDGKAYFYQNLSFKKILAFFKTILENDTIYHDNPFIF

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: 2nzy Chain A Residue 4001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2nzy Structure and mechanism of Helicobacter pylori fucosyltransferase. A basis for lipopolysaccharide variation and inhibitor design.
• Resolution: 2.05 Å
• Binding residue (original residue number in PDB): G94 L124 Y246 T248 E249 K250
• Binding residue (residue number reindexed from 1): G85 L115 Y237 T239 E240 K241
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.4.1.152: 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase.

Gene Ontology

Molecular Function

• GO:0008417 fucosyltransferase activity

Biological Process

• GO:0006486 protein glycosylation

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:2nzy, PDBe:2nzy, PDBj:2nzy
• PDBsum: 2nzy
• PubMed: 17251184
• UniProt: O30511|FUCT_HELPX Alpha-(1,3)-fucosyltransferase FucT (Gene Name=fucT)