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Crystal structure of orotate phosphoribosyltransferase from streptococcus mutans

Analyse Crystal structure of orotate phosphoribosyltransferase from streptococcus mutans in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3DEZ
Type
protein
Length
400 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Orotate phosphoribosyltransferase
EC
2.4.2.10
UniProt
Q8DTV2
Ligands
SO4
Pockets
3 · best druggability 0.36

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOrotate phosphoribosyltransferase (EC 2.4.2.10)protein20644% helix, 22% strandQ8DTV2
BOrotate phosphoribosyltransferase (EC 2.4.2.10)protein19446% helix, 21% strandQ8DTV2

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11060.360.7521SO4
21080.360.7429SO4
3640.290.7416empty

Interfaces

1 interface between chains.

  • A–B · 1328 Ų buried · 28 hydrogen bonds · protein-protein

Compared structures

  • 3DEZ · Crystal structure of Orotate phosphoribosyltransferase from Streptococcus mutans · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8DTV2 · AlphaFold monomer V2.0 prediction for orotate phosphoribosyltransferase (Q8DTV2) · a predicted model of the same protein · chain B against A, TM-score 0.99

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