Research workbench
Crystal structure of mycobacterium tuberculosis argc in complex with 6-phenoxy-3-pyridinamine
Analyse Crystal structure of mycobacterium tuberculosis argc 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
- 7NPJ
- Type
- protein
- Length
- 2,752 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-acetyl-gamma-glutamyl-phosphate reductase
- EC
- 1.2.1.38
- UniProt
- P9WPZ9
- Ligands
- UKK
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | N-acetyl-gamma-glutamyl-phosphate reductase (EC 1.2.1.38) | protein | 344 | 30% helix, 23% strand | P9WPZ9 |
Ligands and binding sites
- UKK · 6-phenoxy-3-pyridinamine · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 560 | 0.87 | 0.93 | 108 | empty |
| 2 | 959 | 0.83 | 0.85 | 121 | empty |
| 3 | 1079 | 0.79 | 0.81 | 140 | empty |
| 4 | 174 | 0.78 | 0.93 | 30 | empty |
| 5 | 640 | 0.77 | 0.83 | 99 | empty |
Interfaces
14 interfaces between chains.
- B–C · 1697 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 1652 Ų buried · 13 hydrogen bonds · protein-protein
- F–G · 1635 Ų buried · 9 hydrogen bonds · protein-protein
- E–H · 1534 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 1204 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 7NPJ · Crystal structure of Mycobacterium tuberculosis ArgC in complex with… · the same entry in another collection · chain H against H, TM-score 1.00
- P9WPZ9 · AlphaFold monomer V2.0 prediction for N-acetyl-gamma-glutamyl- phosphate reductase… · a predicted model of the same protein · chain C 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 P9WPZ9
- Elsewhere: RCSB PDB 7NPJ · PDBe 7NPJ · UniProt P9WPZ9
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