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MolNFT v1 · #104910 · protein + RNA

Crystal structure of the histone mRNA stem-loop, stem-loop binding protein (phosphorylated), and 3'HEXO ternary complex

4QOZ: “Crystal structure of the histone mRNA stem-loop, stem-loop binding protein (phosphorylated), and 3'HEXO…”. X-ray diffraction, 14 pockets (best druggability 0.75). MolNFT v1 #104910 on GenesisL1: 3D structure, binding sites and…

PDB
4QOZ
Type
protein + RNA
Length
674 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone mRNA stem-loop; 3'-5' exoribonuclease 1; Histone RNA hairpin-binding protein
EC
3.1.-.-
UniProt
Q8IV48, Q14493
Pockets
14 · best druggability 0.75

Structure

x-ray diffraction · 5 distinct chains · 43% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistone mRNA stem-looprna26——
B3'-5' exoribonuclease 1 (EC 3.1.-.-)protein27742% helix, 17% strandQ8IV48
CHistone RNA hairpin-binding proteinprotein7358% helix, 0% strandQ14493
DHistone mRNA stem-looprna18——
E3'-5' exoribonuclease 1 (EC 3.1.-.-)protein28042% helix, 17% strandQ8IV48

Pockets

14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18170.750.8060empty
24970.690.7952empty
32700.620.8130empty
42650.610.8033empty
52270.530.7726empty

Interfaces

5 interfaces between chains.

  • A–B · 1315 Ų buried · 29 hydrogen bonds · protein-nucleic
  • D–E · 1270 Ų buried · 25 hydrogen bonds · protein-nucleic
  • B–E · 972 Ų buried · 13 hydrogen bonds · protein-protein
  • A–C · 920 Ų buried · 24 hydrogen bonds · protein-nucleic
  • B–C · 37 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

  • 4QOZ · Crystal structure of the histone mRNA stem-loop, stem-loop binding protein… · the same entry in another collection · chain E against E, TM-score 1.00
  • Q8IV48 · AlphaFold monomer V2.0 prediction for 3'-5' exoribonuclease 1 (Q8IV48) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • Q14493 · AlphaFold monomer V2.0 prediction for histone RNA hairpin-binding protein (Q14493) · a predicted model of the same protein · chain C against A, TM-score 0.98

Analyse

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