Structure of PDB 5kst Chain C Binding Site BS01

Receptor Information

>5kst Chain C (length=254) Species: 160492 (Xylella fastidiosa 9a5c)

MRVLVSNDDGVDAPGIKILADALRNAGHEVMVVAPDRDRSGASNSLTLDT
PIRAKQIDMHTYSVAGTPTDCVHLALTGLLNYDPDIVVSGINNTGNLGDD
VIYSGTVSAAMEGRFLGLPAVAVSLVTLYRQAPQYETAAHAAINIVAQLK
TDPLPADTILNVNVPDVTWQQMRGFKVTRLGNRHRSAPCLTQTDPRGHTI
YWIGPAGPEQDAGPGTDFDAVRNTYISITPIHVDLTRYQALENVTRWTDR
LTAH

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 5kst Chain C Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5kst Conformational variability of the stationary phase survival protein E from Xylella fastidiosa revealed by X-ray crystallography, small-angle X-ray scattering studies, and normal mode analysis.
• Resolution: 2.759 Å
• Binding residue (original residue number in PDB): D8 D9 S40 N92
• Binding residue (residue number reindexed from 1): D8 D9 S40 N92
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.5: 5'-nucleotidase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004309 exopolyphosphatase activity
• GO:0008252 nucleotidase activity
• GO:0008253 5'-nucleotidase activity
• GO:0008254 3'-nucleotidase activity
• GO:0016787 hydrolase activity
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding
• GO:0106411 XMP 5'-nucleosidase activity

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5kst, PDBe:5kst, PDBj:5kst
• PDBsum: 5kst
• PubMed: 28677327
• UniProt: Q9PF20|SURE_XYLFA 5'-nucleotidase SurE (Gene Name=surE)