MolNFT v1 · #183319 · protein
Crystal structure of mycobacterium tuberculosis argb in complex with N-acetyl-glutamate
7NLN · Acetylglutamate kinase: “Crystal structure of mycobacterium tuberculosis argb in complex with N-acetyl-glutamate”. X-ray diffraction, 1 ligand (NLG), 7 pockets (best druggability 0.66). MolNFT v1 #183319 on GenesisL1: 3D structure…
- PDB
- 7NLN
- Type
- protein
- Length
- 579 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetylglutamate kinase
- EC
- 2.7.2.8
- UniProt
- P9WQ01
- Ligands
- NLG
- Pockets
- 7 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetylglutamate kinase (EC 2.7.2.8) | protein | 290 | 43% helix, 25% strand | P9WQ01 |
| B | Acetylglutamate kinase (EC 2.7.2.8) | protein | 289 | 44% helix, 26% strand | P9WQ01 |
Ligands and binding sites
- NLG · N-acetyl-L-glutamate · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 182 | 0.66 | 0.85 | 24 | EDO |
| 2 | 237 | 0.61 | 0.81 | 36 | NLG, EDO |
| 3 | 289 | 0.61 | 0.79 | 46 | NLG, EDO |
| 4 | 89 | 0.41 | 0.78 | 18 | empty |
| 5 | 81 | 0.41 | 0.79 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1274 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 7NLN · Crystal structure of Mycobacterium tuberculosis ArgB in complex with N-acetyl-glutamate · the same entry in another collection · chain A against A, TM-score 1.00
- P9WQ01 · AlphaFold monomer V2.0 prediction for acetylglutamate kinase (P9WQ01) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P9WQ01
- Elsewhere: RCSB PDB 7NLN · PDBe 7NLN · UniProt P9WQ01
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.