MolNFT v1 · #64517 · protein
The crystal structure of the toxin-antitoxin complex RELBE2 (RV2865- 2866) from mycobacterium tuberculosis
3G5O · Uncharacterized protein RV2865: “The crystal structure of the toxin-antitoxin complex RELBE2 (RV2865- 2866) from mycobacterium tuberculosis”. X-ray diffraction, 2 ligands (SCN, CL), 1 pocket (best druggability 0.28). MolNFT v1…
- PDB
- 3G5O
- Type
- protein
- Length
- 352 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein RV2865; Uncharacterized protein RV2866
- UniProt
- O33347, O33348
- Ligands
- SCN, CL
- Pockets
- 1 · best druggability 0.28
Structure
x-ray diffraction · 3 distinct chains · 40% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Uncharacterized protein RV2865 | protein | 92 | 53% helix, 23% strand | O33347 |
| B | Uncharacterized protein RV2866 | protein | 81 | 31% helix, 35% strand | O33348 |
| C | Uncharacterized protein RV2866 | protein | 87 | 34% helix, 34% strand | O33348 |
Ligands and binding sites
- SCN · Thiocyanate ion · ion · chains A, B
- CL · Chloride ion · ion · chains A, B
- GOL · Glycerol · additive · chains A
- IMD · Imidazole · additive · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.28 | 0.74 | 14 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1726 Ų buried · 43 hydrogen bonds · protein-protein
- C–D · 1695 Ų buried · 35 hydrogen bonds · protein-protein
- A–D · 1395 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 154 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 123 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3G5O · The crystal structure of the toxin-antitoxin complex RelBE2 (Rv2865-2866) from… · the same entry in another collection · chain A against A, TM-score 1.00
- O33348 · AlphaFold monomer V2.0 prediction for toxin relg (O33348) · a predicted model of the same protein · chain B against A, TM-score 0.96
- O33347 · AlphaFold monomer V2.0 prediction for antitoxin relf (O33347) · a predicted model of the same protein · chain A against A, TM-score 0.91
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 O33347
- Every structure of UniProt O33348
- Elsewhere: RCSB PDB 3G5O · PDBe 3G5O · UniProt O33347 · UniProt O33348
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