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MolNFT v1 · #109844 · protein

Crystal structure of F222 form of E112A/H234A mutant of stationary phase survival protein (sure) from salmonella typhimurium

4XEP · 5'/3'-nucleotidase sure: “Crystal structure of F222 form of E112A/H234A mutant of stationary phase survival protein (sure) from…”. X-ray diffraction, 2 ligands (MG, PO4), 2 pockets (best druggability 0.35). MolNFT v1 #109844 on…

PDB
4XEP
Type
protein
Length
255 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'/3'-nucleotidase sure
EC
3.1.3.5, 3.1.3.6, 3.6.1.11
UniProt
P66881
Ligands
MG, PO4
Pockets
2 · best druggability 0.35

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A5'/3'-nucleotidase sure (EC 3.1.3.5, 3.1.3.6, 3.6.1.11)protein25530% helix, 25% strandP66881

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A
  • PO4 · Phosphate ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · 4 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1930.350.7417empty
2590.260.7317MG, PO4

Compared structures

  • 4XEP · Crystal Structure of F222 form of E112A/H234A Mutant of Stationary Phase Survival Protein… · the same entry in another collection · chain A against A, TM-score 1.00
  • P66881 · AlphaFold monomer V2.0 prediction for 5'/3'-nucleotidase sure (P66881) · a predicted model of the same protein · chain A against A, TM-score 0.99

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