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MolNFT v1 · #134481 · protein + DNA

A novel domain in human exog converts apoptotic endonuclease to DNA- repair enzyme

5T5C · Nuclease exog, mitochondrial: “A novel domain in human exog converts apoptotic endonuclease to DNA- repair enzyme”. X-ray diffraction, 1 ligand (MG), 9 pockets (best druggability 0.83). MolNFT v1 #134481 on GenesisL1: 3D structure…

PDB
5T5C
Type
protein + DNA
Length
624 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nuclease exog, mitochondrial; DNA (5'-D(P*CP*TP*GP*AP*CP*GP*TP*GP*C)-3'); DNA…
EC
3.1.30.-
UniProt
Q9Y2C4
Ligands
MG
Pockets
9 · best druggability 0.83

Structure

x-ray diffraction · 3 distinct chains · 33% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BNuclease exog, mitochondrial (EC 3.1.30.-)protein29633% helix, 25% strandQ9Y2C4
C, EDNA (5'-D(P*CP*TP*GP*AP*CP*GP*TP*GP*C)-3')dna8——
D, FDNA (5'-D(P*GP*CP*AP*CP*GP*TP*CP*AP*G)-3')dna8——

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A, C, B, E

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

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14010.830.9262empty
210120.760.7864empty
33720.660.8041empty
43400.630.7929empty
52270.540.7725empty

Interfaces

7 interfaces between chains.

  • A–B · 2512 Ų buried · 34 hydrogen bonds · protein-protein
  • B–E · 677 Ų buried · 20 hydrogen bonds · protein-nucleic
  • A–C · 627 Ų buried · 20 hydrogen bonds · protein-nucleic
  • B–F · 459 Ų buried · 7 hydrogen bonds · protein-nucleic
  • C–D · 400 Ų buried · 30 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 5T5C · A Novel domain in human EXOG converts apoptotic endonuclease to DNA-repair enzyme · the same entry in another collection · chain F against F, TM-score 1.00
  • Q9Y2C4 · AlphaFold monomer V2.0 prediction for nuclease exog, mitochondrial (Q9Y2C4) · a predicted model of the same protein · chain B against A, TM-score 0.99

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