Research workbench
Crystal structure of mycobacterium tuberculosis argb in complex with 2,8-BIS(TRIFLUOROMETHYL)QUINOLIN-4-ol.
Analyse Crystal structure of mycobacterium tuberculosis argb in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7NNB
- 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
- 97Q, 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
- 97Q · 2,8-bis(trifluoromethyl)quinolin-4-ol · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · 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 | 396 | 0.61 | 0.77 | 42 | empty |
| 2 | 57 | 0.29 | 0.75 | 16 | SO4 |
Compared structures
- 7NNB · 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 7NNB · PDBe 7NNB · UniProt P9WQ01
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