MolNFT v1 · #183331 · protein
Crystal structure of mycobacterium tuberculosis argb in complex with 1-(2,6-DIHYDROXYPHENYL)ETHAN-1-one.
7NM0 · Acetylglutamate kinase: “Crystal structure of mycobacterium tuberculosis argb in complex with 1-(2,6-DIHYDROXYPHENYL)ETHAN-1-one.”. X-ray diffraction, 2 ligands (9EQ, SO4), 2 pockets (best druggability 0.61). MolNFT v1 #183331 on…
- PDB
- 7NM0
- Type
- protein
- Length
- 291 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetylglutamate kinase
- EC
- 2.7.2.8
- UniProt
- P9WQ01
- Ligands
- 9EQ, SO4
- Pockets
- 2 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetylglutamate kinase (EC 2.7.2.8) | protein | 291 | 43% helix, 25% strand | P9WQ01 |
Ligands and binding sites
- 9EQ · 1-[2,6-bis(oxidanyl)phenyl]ethanone · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 381 | 0.61 | 0.77 | 43 | empty |
| 2 | 51 | 0.27 | 0.75 | 15 | SO4 |
Compared structures
- 7NM0 · Crystal structure of Mycobacterium tuberculosis ArgB in complex with… · 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 0.96
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 7NM0 · PDBe 7NM0 · UniProt P9WQ01
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