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MolNFT v1 · #33912 · protein

Crystal structure of orotidine 5'-phosphate decarboxylase from pyrococcus horikoshii OT3

2CZ5: “Crystal structure of orotidine 5'-phosphate decarboxylase from pyrococcus horikoshii OT3”. X-ray diffraction, 2 pockets (best druggability 0.66). MolNFT v1 #33912 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2CZ5
Type
protein
Length
416 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Orotidine 5'-phosphate decarboxylase
EC
4.1.1.23
UniProt
O58462
Pockets
2 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BOrotidine 5'-phosphate decarboxylase (EC 4.1.1.23)protein20850% helix, 18% strandO58462

Ligands and binding sites

  • CIT · Citric acid · additive · 2 copies · chains A, B
  • GOL · Glycerol · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13170.660.8141CIT, GOL
22240.650.8338CIT

Interfaces

1 interface between chains.

  • A–B · 1660 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 2CZ5 · Crystal structure of orotidine 5'-phosphate decarboxylase from Pyrococcus horikoshii OT3 · the same entry in another collection · chain A against A, TM-score 1.00
  • O58462 · AlphaFold monomer V2.0 prediction for orotidine 5'-phosphate decarboxylase (O58462) · a predicted model of the same protein · chain A against A, TM-score 0.97

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