Structure of PDB 5u9c Chain A Binding Site BS01

Receptor Information

>5u9c Chain A (length=288) Species: 630 (Yersinia enterocolitica)

MKRKILITGGTGMLGAYVTSALKDTDYNVIVTERNTLNLSVPEAIFSYIT
AEKPDVILHFAAETDVDLCEREPARAGIYNHLATEQIAQAAKFCGAWLLY
LSSSNVFGGEGKLSYNELDIPLPMNYYGRSKLIGESSVRNACTNNHLIIR
AGWMIGGGPDKDHKFVGKIIQQIKAGSTSIKAVSDRLGSITSAMQLCNFI
IWAINKRHTGTLHFASSGTISRFDIACAIGDLLNFKGDIIPVHSSVFPLS
APRPYSEGIESIYMSILSDAPKPSLWKSDLAKYVGTFL

Ligand information

• Ligand ID: BDF
• InChI: InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
• InChIKey: LKDRXBCSQODPBY-ARQDHWQXSA-N
• SMILES:
  CACTVS 3.341: OC[C]1(O)OC[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O
  ACDLabs 10.04: OC1C(O)(OCC(O)C1O)CO
  OpenEye OEToolkits 1.5.0: C1C(C(C(C(O1)(CO)O)O)O)O
• Formula: C6 H12 O6
• Name: beta-D-fructopyranose;
  beta-D-fructose;
  D-fructose;
  fructose
• ZINC: ZINC000003861095
• PDB chain: 5u9c Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5u9c 1.9 Angstrom Resolution Crystal Structure of dTDP-4-dehydrorhamnose Reductase from Yersinia enterocolitica.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): F165 K181 F247
• Binding residue (residue number reindexed from 1): F165 K181 F247
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.1.1.133: dTDP-4-dehydrorhamnose reductase.

Gene Ontology

Molecular Function

• GO:0008831 dTDP-4-dehydrorhamnose reductase activity
• GO:0016491 oxidoreductase activity

Biological Process

• GO:0009243 O antigen biosynthetic process
• GO:0019305 dTDP-rhamnose biosynthetic process

External links

• PDB: RCSB:5u9c, PDBe:5u9c, PDBj:5u9c
• PDBsum: 5u9c
• UniProt: Q56905