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MolNFT v1 · #154141 · protein

Crystal structure of EXD2 exonuclease domain soaked in mn and gmp

6K1D · Exonuclease 3'-5' domain-containing protein 2: “Crystal structure of EXD2 exonuclease domain soaked in mn and gmp”. X-ray diffraction, 1 ligand (MN), 7 pockets (best druggability 0.70). MolNFT v1 #154141 on GenesisL1: 3D structure…

PDB
6K1D
Type
protein
Length
385 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Exonuclease 3'-5' domain-containing protein 2
EC
3.1.11.1
UniProt
Q9NVH0
Ligands
MN
Pockets
7 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AExonuclease 3'-5' domain-containing protein 2 (EC 3.1.11.1)protein19246% helix, 15% strandQ9NVH0
BExonuclease 3'-5' domain-containing protein 2 (EC 3.1.11.1)protein19347% helix, 14% strandQ9NVH0

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 4 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1600.700.9716empty
22290.500.7527MN
3880.450.8018empty
41510.430.7519MN
5550.430.8312empty

Interfaces

1 interface between chains.

  • A–B · 4096 Ų buried · 32 hydrogen bonds · protein-protein

Compared structures

  • 6K1D · Crystal structure of EXD2 exonuclease domain soaked in Mn and GMP · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9NVH0 · AlphaFold monomer V2.0 prediction for exonuclease 3'-5' domain- containing protein 2… · a predicted model of the same protein · chain B against A, TM-score 0.61

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