MolNFT v1 · #154142 · protein
Crystal structure of EXD2 exonuclease domain soaked in mg and gmp
6K1E · Exonuclease 3'-5' domain-containing protein 2: “Crystal structure of EXD2 exonuclease domain soaked in mg and gmp”. X-ray diffraction, 1 ligand (MG), 5 pockets (best druggability 0.44). MolNFT v1 #154142 on GenesisL1: 3D structure…
- PDB
- 6K1E
- Type
- protein
- Length
- 393 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
- MG
- Pockets
- 5 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Exonuclease 3'-5' domain-containing protein 2 (EC 3.1.11.1) | protein | 196 | 46% helix, 14% strand | Q9NVH0 |
| B | Exonuclease 3'-5' domain-containing protein 2 (EC 3.1.11.1) | protein | 197 | 44% helix, 14% strand | Q9NVH0 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 151 | 0.44 | 0.75 | 22 | MG |
| 2 | 123 | 0.39 | 0.75 | 24 | MG |
| 3 | 71 | 0.28 | 0.72 | 16 | empty |
| 4 | 52 | 0.26 | 0.73 | 9 | empty |
| 5 | 53 | 0.25 | 0.72 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 4405 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
- 6K1E · Crystal structure of EXD2 exonuclease domain soaked in Mg 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
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9NVH0
- Elsewhere: RCSB PDB 6K1E · PDBe 6K1E · UniProt Q9NVH0
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