Structure of PDB 5buv Chain B Binding Site BS01

Receptor Information

>5buv Chain B (length=173) Species: 393305 (Yersinia enterocolitica subsp. enterocolitica 8081)

SIINITELNISGCYLIESPIFSDERGEFVKTHHQEIFKNFGLEIPSAEEY
YSRSKNNVIRGMHFQQYPDDHNKLVFCPEGEVLDVFLDIRKDSNTYGQFM
SFILNPHNRRSIFLAKGIAHGFLSMKDNTLIVCKTSTVHSPSRDSGIHWN
SFGFKWPVENPIISDKDRNLDCF

Ligand information

• Ligand ID: CYT
• InChI: InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
• InChIKey: OPTASPLRGRRNAP-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O=C1N=CC=C(N)N1
  OpenEye OEToolkits 1.5.0: C1=C(NC(=O)N=C1)N
  CACTVS 3.341: NC1=CC=NC(=O)N1
• Formula: C4 H5 N3 O
• Name: 6-AMINOPYRIMIDIN-2(1H)-ONE;
  CYTOSINE
• ChEMBL: CHEMBL15913
• ZINC: ZINC000000895210
• PDB chain: 5buv Chain B Residue 203

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5buv Biochemical studies on WbcA, a sugar epimerase from Yersinia enterocolitica.
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): E48 H139
• Binding residue (residue number reindexed from 1): E48 H139
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H63 K73 C133 D167
• Catalytic site (residue number reindexed from 1): H63 K73 C133 D167
• Enzyme Commision number: 5.1.3.13: dTDP-4-dehydrorhamnose 3,5-epimerase.

Gene Ontology

Molecular Function

• GO:0008830 dTDP-4-dehydrorhamnose 3,5-epimerase activity

Biological Process

• GO:0019305 dTDP-rhamnose biosynthetic process
• GO:0045226 extracellular polysaccharide biosynthetic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:5buv, PDBe:5buv, PDBj:5buv
• PDBsum: 5buv
• PubMed: 26174084
• UniProt: A1JNA0