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MolNFT v1 · #102177 · protein + RNA

Crystal structure of the pentatricopeptide repeat protein PPR10 (C256S/C430S/C449S) in complex with an 18-nt psaj RNA element

4OE1 · Chloroplast pentatricopeptide repeat protein 10: “Crystal structure of the pentatricopeptide repeat protein PPR10 (C256S/C430S/C449S) in complex with an 18-nt…”. X-ray diffraction, 1 ligand (PO4), 20 pockets (best druggability…

PDB
4OE1
Type
protein + RNA
Length
1,402 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chloroplast pentatricopeptide repeat protein 10; Psaj RNA
UniProt
B8Y6I0
Ligands
PO4
Pockets
20 · best druggability 0.80

Structure

x-ray diffraction · 4 distinct chains · 69% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChloroplast pentatricopeptide repeat protein 10protein68769% helix, 0% strandB8Y6I0
BChloroplast pentatricopeptide repeat protein 10protein68370% helix, 0% strandB8Y6I0
DPsaj RNArna18——
CPsaj RNArna14——

Ligands and binding sites

  • PO4 · Phosphate ion · ion · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15730.800.8660empty
25570.730.8268empty
34180.710.8235empty
43310.700.8437empty
53690.660.8041empty

Interfaces

5 interfaces between chains.

  • A–B · 3019 Ų buried · 35 hydrogen bonds · protein-protein
  • A–D · 1145 Ų buried · 20 hydrogen bonds · protein-nucleic
  • B–C · 1046 Ų buried · 21 hydrogen bonds · protein-nucleic
  • B–D · 961 Ų buried · 16 hydrogen bonds · protein-nucleic
  • A–C · 903 Ų buried · 11 hydrogen bonds · protein-nucleic

Compared structures

  • 4OE1 · Crystal structure of the pentatricopeptide repeat protein PPR10 (C256S/C430S/C449S) in… · the same entry in another collection · chain A against A, TM-score 1.00
  • B8Y6I0 · AlphaFold monomer V2.0 prediction for pentatricopeptide repeat- containing protein 10… · a predicted model of the same protein · chain A against A, TM-score 0.72

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