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Open and closed forms of V1788D human PRP8 RNase H-like domain with bound mg ion

Analyse Open and closed forms of V1788D human PRP8 RNase H-like domain with bound mg ion in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4JKB
Type
protein
Length
441 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pre-mRNA-processing-splicing factor 8
UniProt
Q6P2Q9
Ligands
MG, CL
Pockets
10 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APre-mRNA-processing-splicing factor 8protein22143% helix, 20% strandQ6P2Q9
BPre-mRNA-processing-splicing factor 8protein22039% helix, 16% strandQ6P2Q9

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains B, A
  • CL · Chloride ion · ion · 5 copies · chains A, B
  • GOL · Glycerol · additive · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14210.650.7833GOL
21360.640.8630GOL, MG
32380.530.7622empty
41410.450.7618empty
5700.450.8220empty

Interfaces

1 interface between chains.

  • A–B · 988 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 4JKB · Open and closed forms of V1788D human PRP8 RNase H-like domain with bound Mg ion · the same entry in another collection · chain A against A, TM-score 1.00

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