MolNFT v1 · #144945 · protein
Crystal structure of KA1-autoinhibited MARK1 kinase
6C9D · SERINE/THREONINE-protein kinase MARK1,SERINE/THREONINE…: “Crystal structure of KA1-autoinhibited MARK1 kinase”. X-ray diffraction, 12 pockets (best druggability 0.81). MolNFT v1 #144945 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6C9D
- Type
- protein
- Length
- 847 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase MARK1,SERINE/THREONINE- protein kinase MARK1
- EC
- 2.7.11.1, 2.7.11.26
- UniProt
- Q9P0L2
- Pockets
- 12 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase MARK1,SERINE/THREONINE- protein kinase MARK1 (EC 2.7.11.1, 2.7.11.26) | protein | 425 | 38% helix, 20% strand | Q9P0L2 |
| B | SERINE/THREONINE-protein kinase MARK1,SERINE/THREONINE- protein kinase MARK1 (EC 2.7.11.1, 2.7.11.26) | protein | 422 | 37% helix, 20% strand | Q9P0L2 |
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 644 | 0.81 | 0.86 | 83 | empty |
| 2 | 699 | 0.77 | 0.82 | 70 | empty |
| 3 | 674 | 0.76 | 0.82 | 83 | empty |
| 4 | 240 | 0.53 | 0.76 | 29 | empty |
| 5 | 147 | 0.50 | 0.79 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1265 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 6C9D · Crystal structure of KA1-autoinhibited MARK1 kinase · the same entry in another collection · chain A against A, 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 B against A, TM-score 0.98
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 6C9D · PDBe 6C9D · UniProt Q9P0L2
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