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MolNFT v1 · #102212 · protein

X-ray structure of unliganded uridine phosphorylase from yersinia pseudotuberculosis at 1.4 a resolution

4OF4: “X-ray structure of unliganded uridine phosphorylase from yersinia pseudotuberculosis at 1.4 a resolution”. X-ray diffraction, 1 ligand (NA), 4 pockets (best druggability 0.73). MolNFT v1 #102212 on GenesisL1: 3D structure, binding…

PDB
4OF4
Type
protein
Length
502 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uridine phosphorylase
EC
2.4.2.3
UniProt
Q7AZX0
Ligands
NA
Pockets
4 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BUridine phosphorylase (EC 2.4.2.3)protein25132% helix, 28% strandQ7AZX0

Ligands and binding sites

  • NA · Sodium ion · metal · chains A, B
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
  • PEG · Di(hydroxyethyl)ether · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15120.730.8249EDO
24890.710.8150empty
3780.310.7321EDO
4830.310.7318empty

Interfaces

1 interface between chains.

  • A–B · 2080 Ų buried · 32 hydrogen bonds · protein-protein

Compared structures

  • 4OF4 · X-ray structure of unliganded uridine phosphorylase from Yersinia pseudotuberculosis at… · the same entry in another collection · chain B against B, TM-score 1.00

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