MolNFT v1 · #53598 · protein
Catalytic and uba domain of kinase MARK2/(PAR-1) K82R, T208E double mutant
2WZJ · SERINE/THREONINE-protein kinase MARK2: “Catalytic and uba domain of kinase MARK2/(PAR-1) K82R, T208E double mutant”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #53598 on GenesisL1: 3D structure, binding sites…
- PDB
- 2WZJ
- Type
- protein
- Length
- 1,863 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase MARK2
- EC
- 2.7.11.1
- UniProt
- O08679
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, E, F | SERINE/THREONINE-protein kinase MARK2 (EC 2.7.11.1) | protein | 310 | 42% helix, 14% strand | O08679 |
| D | SERINE/THREONINE-protein kinase MARK2 (EC 2.7.11.1) | protein | 313 | 41% helix, 14% strand | O08679 |
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1000 | 0.84 | 0.85 | 92 | empty |
| 2 | 574 | 0.81 | 0.87 | 77 | empty |
| 3 | 985 | 0.80 | 0.81 | 80 | empty |
| 4 | 220 | 0.72 | 0.88 | 29 | empty |
| 5 | 515 | 0.68 | 0.78 | 53 | empty |
Interfaces
9 interfaces between chains.
- B–C · 1988 Ų buried · 22 hydrogen bonds · protein-protein
- A–F · 1949 Ų buried · 32 hydrogen bonds · protein-protein
- D–E · 1930 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 1261 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 1234 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- O08679 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase MARK2 (O08679) · a predicted model of the same protein · chain A against A, TM-score 0.91
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 O08679
- Elsewhere: RCSB PDB 2WZJ · PDBe 2WZJ · UniProt O08679
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