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MolNFT v1 · #58988 · protein

Crystal structure analysis of the RNase J/UMP complex

3BK2 · Metal dependent hydrolase: “Crystal structure analysis of the RNase J/UMP complex”. X-ray diffraction, 3 ligands (U5P, ZN, SO4), 4 pockets (best druggability 0.74). MolNFT v1 #58988 on GenesisL1: 3D structure, binding sites and…

PDB
3BK2
Type
protein
Length
549 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Metal dependent hydrolase
EC
3.-.-.-
UniProt
Q72JJ7
Ligands
U5P, ZN, SO4
Pockets
4 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMetal dependent hydrolase (EC 3.-.-.-)protein54934% helix, 26% strandQ72JJ7

Ligands and binding sites

  • U5P · Uridine-5'-monophosphate · ligand · chains A
  • ZN · Zinc ion · metal · 2 copies · chains A
  • SO4 · Sulfate ion · ion · chains A
  • GOL · Glycerol · additive · 3 copies · chains A

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
15260.740.8264U5P
21080.540.8322empty
31110.410.7718empty
4510.370.8013empty

Modifications

Observed in the structure: 14 modified (engineered).

Compared structures

  • 3BK2 · Crystal Structure Analysis of the RNase J/UMP complex · the same entry in another collection · chain A against A, TM-score 1.00
  • Q72JJ7 · AlphaFold monomer V2.0 prediction for ribonuclease J (Q72JJ7) · a predicted model of the same protein · chain A against A, TM-score 0.95

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