MolNFT v1 · #140839 · protein
The crystal structure of RV2747 from mycobacterium tuberculosis in complex with acetyl CoA and L-arginine
5YO2 · Amino-acid acetyltransferase: “The crystal structure of RV2747 from mycobacterium tuberculosis in complex with acetyl CoA and L-arginine”. X-ray diffraction, 2 ligands (ARG, ACO), 4 pockets (best druggability 0.79). MolNFT v1…
- PDB
- 5YO2
- Type
- protein
- Length
- 334 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amino-acid acetyltransferase
- EC
- 2.3.1.1
- UniProt
- O33289
- Ligands
- ARG, ACO
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Amino-acid acetyltransferase (EC 2.3.1.1) | protein | 168 | 38% helix, 24% strand | O33289 |
| B | Amino-acid acetyltransferase (EC 2.3.1.1) | protein | 166 | 37% helix, 25% strand | O33289 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 387 | 0.79 | 0.89 | 42 | empty |
| 2 | 215 | 0.69 | 0.86 | 34 | ARG |
| 3 | 278 | 0.68 | 0.83 | 39 | ARG, ACO |
| 4 | 131 | 0.43 | 0.76 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1339 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 5YO2 · The crystal structure of Rv2747 from Mycobacterium tuberculosis in complex with Acetyl… · the same entry in another collection · chain A against A, TM-score 1.00
- O33289 · AlphaFold monomer V2.0 prediction for amino-acid acetyltransferase (O33289) · a predicted model of the same protein · chain A against A, TM-score 0.84
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 O33289
- Elsewhere: RCSB PDB 5YO2 · PDBe 5YO2 · UniProt O33289
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