MolNFT v1 · #86767 · protein
The 3D-structure of arylamine-N-acetyltransferase from M. tuberculosis
4BGF · Arylamine N-acetyltransferase nat: “The 3D-structure of arylamine-N-acetyltransferase from M. tuberculosis”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #86767 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4BGF
- Type
- protein
- Length
- 2,160 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arylamine N-acetyltransferase nat
- EC
- 2.3.1.5
- UniProt
- I6XHK1
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 32% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D, E, G, H | Arylamine N-acetyltransferase nat (EC 2.3.1.5) | protein | 270 | 33% helix, 26% strand | I6XHK1 |
| C | Arylamine N-acetyltransferase nat (EC 2.3.1.5) | protein | 269 | 32% helix, 26% strand | I6XHK1 |
| F | Arylamine N-acetyltransferase nat (EC 2.3.1.5) | protein | 271 | 32% helix, 24% strand | I6XHK1 |
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1129 | 0.81 | 0.82 | 108 | empty |
| 2 | 864 | 0.77 | 0.80 | 87 | empty |
| 3 | 113 | 0.75 | 0.95 | 25 | empty |
| 4 | 728 | 0.74 | 0.80 | 73 | empty |
| 5 | 1162 | 0.74 | 0.77 | 113 | empty |
Interfaces
17 interfaces between chains.
- C–G · 750 Ų buried · 11 hydrogen bonds · protein-protein
- E–H · 745 Ų buried · 13 hydrogen bonds · protein-protein
- A–F · 738 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 728 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 279 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4BGF · The 3D-structure of arylamine-N-acetyltransferase from M. tuberculosis · 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 I6XHK1
- Elsewhere: RCSB PDB 4BGF · PDBe 4BGF · UniProt I6XHK1
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