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MolNFT v1 · #29529 · protein + RNA

3'-end specific recognition of histone mRNA stem-loop by 3'- exonuclease

1ZBH · 5'-R(*CP*CP*GP*GP*CP*UP*CP*UP*UP*UP*UP*CP*AP*GP*AP*GP*CP*CP…: “3'-end specific recognition of histone mRNA stem-loop by 3'- exonuclease”. X-ray diffraction, 2 ligands (AMP, MG), 18 pockets (best druggability 0.67). MolNFT v1 #29529…

PDB
1ZBH
Type
protein + RNA
Length
1,060 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-R(*CP*CP*GP*GP*CP*UP*CP*UP*UP*UP*UP*CP*AP*GP*AP*GP*CP*CP *GP*G)-3'; 3'-5' exonuclease…
EC
3.1.-.-
UniProt
Q8IV48
Ligands
AMP, MG
Pockets
18 · best druggability 0.67

Structure

x-ray diffraction · 3 distinct chains · 40% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
F, E5'-R(*CP*CP*GP*GP*CP*UP*CP*UP*UP*UP*UP*CP*AP*GP*AP*GP*CP*CP *GP*G)-3'rna16——
A, D3'-5' exonuclease ERI1 (EC 3.1.-.-)protein28944% helix, 17% strandQ8IV48
B, C3'-5' exonuclease ERI1 (EC 3.1.-.-)protein22535% helix, 20% strandQ8IV48

Ligands and binding sites

  • AMP · Adenosine monophosphate · ligand · 4 copies · chains A, B, C, D
  • MG · Magnesium ion · metal · 8 copies · chains A, B, C, D

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

Pockets

18 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16370.670.7663empty
23530.640.8037empty
34390.620.7649empty
43050.570.7734empty
52910.570.7832empty

Interfaces

8 interfaces between chains.

  • A–D · 1091 Ų buried · 12 hydrogen bonds · protein-protein
  • C–D · 802 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 651 Ų buried · 11 hydrogen bonds · protein-protein
  • E–A · 507 Ų buried · 7 hydrogen bonds · protein-nucleic
  • F–D · 487 Ų buried · 8 hydrogen bonds · protein-nucleic

Compared structures

  • 1ZBH · 3'-end specific recognition of histone mRNA stem-loop by 3'-exonuclease · the same entry in another collection · chain D against D, TM-score 1.00
  • Q8IV48 · AlphaFold monomer V2.0 prediction for 3'-5' exoribonuclease 1 (Q8IV48) · a predicted model of the same protein · chain C against A, TM-score 0.99

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