MolNFT v1 · #38824 · protein
Catalytic and ubiqutin-associated domains of MARK1/PAR-1
2HAK · SERINE/THREONINE-protein kinase MARK1: “Catalytic and ubiqutin-associated domains of MARK1/PAR-1”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #38824 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2HAK
- Type
- protein
- Length
- 2,417 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase MARK1
- EC
- 2.7.11.1
- UniProt
- Q9P0L2
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 7 distinct chains · 40% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase MARK1 (EC 2.7.11.1) | protein | 309 | 42% helix, 15% strand | Q9P0L2 |
| B | SERINE/THREONINE-protein kinase MARK1 (EC 2.7.11.1) | protein | 279 | 37% helix, 15% strand | Q9P0L2 |
| C | SERINE/THREONINE-protein kinase MARK1 (EC 2.7.11.1) | protein | 310 | 41% helix, 15% strand | Q9P0L2 |
| D | SERINE/THREONINE-protein kinase MARK1 (EC 2.7.11.1) | protein | 309 | 39% helix, 15% strand | Q9P0L2 |
| E, F | SERINE/THREONINE-protein kinase MARK1 (EC 2.7.11.1) | protein | 318 | 42% helix, 15% strand | Q9P0L2 |
| G | SERINE/THREONINE-protein kinase MARK1 (EC 2.7.11.1) | protein | 297 | 37% helix, 16% strand | Q9P0L2 |
| H | SERINE/THREONINE-protein kinase MARK1 (EC 2.7.11.1) | protein | 277 | 40% helix, 17% strand | Q9P0L2 |
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1199 | 0.81 | 0.82 | 124 | empty |
| 2 | 839 | 0.72 | 0.77 | 86 | empty |
| 3 | 1042 | 0.70 | 0.75 | 86 | empty |
| 4 | 280 | 0.70 | 0.84 | 38 | empty |
| 5 | 288 | 0.68 | 0.83 | 38 | empty |
Interfaces
11 interfaces between chains.
- E–F · 1139 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 455 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 399 Ų buried · 4 hydrogen bonds · protein-protein
- G–H · 353 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 346 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2HAK · Catalytic and ubiqutin-associated domains of MARK1/PAR-1 · the same entry in another collection · chain H against H, TM-score 1.00
- Q9P0L2 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase MARK1 (Q9P0L2) · a predicted model of the same protein · chain H against A, TM-score 0.92
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 Q9P0L2
- Elsewhere: RCSB PDB 2HAK · PDBe 2HAK · UniProt Q9P0L2
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