MolNFT v1 · #115969 · protein
Crystal structure of the PAAA2-PARE2 antitoxin-toxin complex
5CZE: “Crystal structure of the PAAA2-PARE2 antitoxin-toxin complex”. X-ray diffraction, 10 pockets (best druggability 0.83). MolNFT v1 #115969 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5CZE
- Type
- protein
- Length
- 618 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PAAA2; Plasmid stabilization protein pare
- UniProt
- A0A0F6F6Q9, A0A0D7C2L1
- Pockets
- 10 · best druggability 0.83
Structure
x-ray diffraction · 6 distinct chains · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PAAA2 | protein | 60 | 62% helix, 7% strand | A0A0F6F6Q9 |
| B, D, L | Plasmid stabilization protein pare | protein | 95 | 35% helix, 26% strand | A0A0D7C2L1 |
| C | PAAA2 | protein | 57 | 61% helix, 4% strand | A0A0F6F6Q9 |
| I | PAAA2 | protein | 59 | 63% helix, 7% strand | A0A0F6F6Q9 |
| J | Plasmid stabilization protein pare | protein | 96 | 39% helix, 26% strand | A0A0D7C2L1 |
| K | PAAA2 | protein | 61 | 64% helix, 7% strand | A0A0F6F6Q9 |
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1173 | 0.83 | 0.84 | 107 | empty |
| 2 | 171 | 0.61 | 0.83 | 20 | empty |
| 3 | 190 | 0.58 | 0.81 | 25 | empty |
| 4 | 184 | 0.54 | 0.79 | 26 | empty |
| 5 | 89 | 0.38 | 0.77 | 16 | empty |
Interfaces
15 interfaces between chains.
- K–L · 1719 Ų buried · 36 hydrogen bonds · protein-protein
- C–D · 1682 Ų buried · 26 hydrogen bonds · protein-protein
- I–J · 1628 Ų buried · 29 hydrogen bonds · protein-protein
- A–B · 1627 Ų buried · 28 hydrogen bonds · protein-protein
- B–D · 648 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 5CZE · Crystal structure of the PaaA2-ParE2 antitoxin-toxin complex · the same entry in another collection · chain A against A, TM-score 1.00
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 A0A0F6F6Q9
- Every structure of UniProt A0A0D7C2L1
- Elsewhere: RCSB PDB 5CZE · PDBe 5CZE · UniProt A0A0F6F6Q9 · UniProt A0A0D7C2L1
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