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MolNFT v1 · #92766 · protein

Crystal structure of pseudouridine monophosphate glycosidase complexed with pseudouridine 5'-phosphate

4GIM · Pseudouridine-5'-phosphate glycosidase: “Crystal structure of pseudouridine monophosphate glycosidase complexed with pseudouridine 5'-phosphate”. X-ray diffraction, 2 ligands (PSU, MN), 11 pockets (best druggability 0.84). MolNFT v1…

PDB
4GIM
Type
protein
Length
917 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pseudouridine-5'-phosphate glycosidase
EC
3.2.-.-
UniProt
P33025
Ligands
PSU, MN
Pockets
11 · best druggability 0.84

Structure

x-ray diffraction · 3 distinct chains · 50% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APseudouridine-5'-phosphate glycosidase (EC 3.2.-.-)protein30650% helix, 17% strandP33025
BPseudouridine-5'-phosphate glycosidase (EC 3.2.-.-)protein30649% helix, 17% strandP33025
CPseudouridine-5'-phosphate glycosidase (EC 3.2.-.-)protein30550% helix, 17% strandP33025

Ligands and binding sites

  • PSU · Pseudouridine-5'-monophosphate · ligand · 3 copies · chains A, C, B
  • MN · Manganese (II) ion · metal · 3 copies · chains A, C, B

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

Pockets

11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11710.840.9826empty
22130.820.9637PSU, MN
32080.820.9636PSU, MN
42050.820.9638PSU, MN
54630.660.7861empty

Interfaces

3 interfaces between chains.

  • A–B · 1148 Ų buried · 3 hydrogen bonds · protein-protein
  • B–C · 1115 Ų buried · 1 hydrogen bond · protein-protein
  • A–C · 1084 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 4GIM · Crystal Structure of Pseudouridine Monophosphate Glycosidase Complexed with Pseudouridine… · the same entry in another collection · chain A against A, TM-score 1.00
  • P33025 · AlphaFold monomer V2.0 prediction for pseudouridine-5'-phosphate glycosidase (P33025) · a predicted model of the same protein · chain B against A, TM-score 1.00

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