MolNFT v1 · #95875 · protein
Crystal structure of ribosomal-protein-alanine N-acetyltransferase from brucella melitensis
4J3G · GCN5-related N-acetyltransferase: “Crystal structure of ribosomal-protein-alanine N-acetyltransferase from brucella melitensis”. X-ray diffraction, 2 ligands (NA, SO4), 4 pockets (best druggability 0.79). MolNFT v1 #95875 on…
- PDB
- 4J3G
- Type
- protein
- Length
- 653 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GCN5-related N-acetyltransferase
- EC
- 2.3.1.-
- UniProt
- Q2YRK4
- Ligands
- NA, SO4
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 37% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | GCN5-related N-acetyltransferase (EC 2.3.1.-) | protein | 164 | 37% helix, 35% strand | Q2YRK4 |
| C | GCN5-related N-acetyltransferase (EC 2.3.1.-) | protein | 162 | 38% helix, 36% strand | Q2YRK4 |
| D | GCN5-related N-acetyltransferase (EC 2.3.1.-) | protein | 163 | 36% helix, 36% strand | Q2YRK4 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains B, C
- SO4 · Sulfate ion · ion · 6 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B, C, D
- IMD · Imidazole · additive · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 940 | 0.79 | 0.81 | 72 | SO4, EDO |
| 2 | 621 | 0.77 | 0.83 | 58 | SO4, EDO |
| 3 | 533 | 0.75 | 0.82 | 53 | SO4, EDO |
| 4 | 501 | 0.72 | 0.81 | 46 | SO4, EDO |
Interfaces
3 interfaces between chains.
- A–B · 1353 Ų buried · 28 hydrogen bonds · protein-protein
- C–D · 1314 Ų buried · 24 hydrogen bonds · protein-protein
- B–C · 552 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4J3G · Crystal structure of Ribosomal-protein-alanine N-acetyltransferase from Brucella… · 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 Q2YRK4
- Elsewhere: RCSB PDB 4J3G · PDBe 4J3G · UniProt Q2YRK4
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