MolNFT v1 · #126344 · protein
Crystal structure of mycobacterium tuberculosis pkni kinase domain, C20A_R136A double mutant
5M08 · SERINE/THREONINE-protein kinase pkni: “Crystal structure of mycobacterium tuberculosis pkni kinase domain, C20A_R136A double mutant”. X-ray diffraction, 6 pockets (best druggability 0.64). MolNFT v1 #126344 on GenesisL1: 3D…
- PDB
- 5M08
- Type
- protein
- Length
- 500 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase pkni
- EC
- 2.7.11.1
- UniProt
- P9WI69
- Pockets
- 6 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase pkni (EC 2.7.11.1) | protein | 247 | 41% helix, 21% strand | P9WI69 |
| B | SERINE/THREONINE-protein kinase pkni (EC 2.7.11.1) | protein | 253 | 40% helix, 19% strand | P9WI69 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 345 | 0.64 | 0.79 | 38 | empty |
| 2 | 317 | 0.59 | 0.77 | 33 | empty |
| 3 | 92 | 0.47 | 0.81 | 25 | empty |
| 4 | 116 | 0.43 | 0.77 | 25 | empty |
| 5 | 80 | 0.39 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 405 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5M08 · Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A_R136A double… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WI69 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase pkni (P9WI69) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P9WI69
- Elsewhere: RCSB PDB 5M08 · PDBe 5M08 · UniProt P9WI69
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