Research workbench
Crystal structure of mycobacterium tuberculosis NAD kinase
Analyse Crystal structure of mycobacterium tuberculosis NAD kinase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1U0R
- Type
- protein
- Length
- 1,125 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inorganic POLYPHOSPHATE/ATP-NAD kinase
- EC
- 2.7.1.23
- UniProt
- P0A5S6
- Pockets
- 15 · best druggability 0.86
Structure
x-ray diffraction · 4 distinct chains · 19% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inorganic POLYPHOSPHATE/ATP-NAD kinase (EC 2.7.1.23) | protein | 281 | 19% helix, 39% strand | P0A5S6 |
| B | Inorganic POLYPHOSPHATE/ATP-NAD kinase (EC 2.7.1.23) | protein | 258 | 18% helix, 39% strand | P0A5S6 |
| C | Inorganic POLYPHOSPHATE/ATP-NAD kinase (EC 2.7.1.23) | protein | 285 | 22% helix, 39% strand | P0A5S6 |
| D | Inorganic POLYPHOSPHATE/ATP-NAD kinase (EC 2.7.1.23) | protein | 301 | 18% helix, 33% strand | P0A5S6 |
Pockets
15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 873 | 0.86 | 0.88 | 68 | empty |
| 2 | 1166 | 0.74 | 0.77 | 102 | empty |
| 3 | 1047 | 0.74 | 0.77 | 93 | empty |
| 4 | 92 | 0.68 | 0.93 | 18 | empty |
| 5 | 55 | 0.68 | 0.97 | 16 | empty |
Interfaces
6 interfaces between chains.
- A–D · 1859 Ų buried · 26 hydrogen bonds · protein-protein
- B–C · 1852 Ų buried · 31 hydrogen bonds · protein-protein
- A–B · 1062 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 1043 Ų buried · 18 hydrogen bonds · protein-protein
- B–D · 158 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1U0R · Crystal structure of Mycobacterium tuberculosis NAD kinase · 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 P0A5S6
- Elsewhere: RCSB PDB 1U0R · PDBe 1U0R · UniProt P0A5S6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.