Research workbench
MARK2 complex with 7-[(1S)-1-(4-FLUOROPHENYL)ETHYL]-5,5-dimethyl-2-(3- PYRIDYLAMINO)PYRROLO[2,3-D]PYRIMIDIN-6-one
Analyse MARK2 complex with 7-[(1S)-1-(4-FLUOROPHENYL)ETHYL]-5,5-dimethyl-2-(3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5KZ8
- Type
- protein
- Length
- 602 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase MARK2
- EC
- 2.7.11.1, 2.7.11.26
- UniProt
- Q7KZI7
- Ligands
- 6Z5
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase MARK2 (EC 2.7.11.1, 2.7.11.26) | protein | 302 | 38% helix, 14% strand | Q7KZI7 |
| B | SERINE/THREONINE-protein kinase MARK2 (EC 2.7.11.1, 2.7.11.26) | protein | 300 | 39% helix, 14% strand | Q7KZI7 |
Ligands and binding sites
- 6Z5 · 5,5-dimethyl-7-[(1~{S})-4-oxidanyl-1~{H}-inden-1-yl]-2-phenylazanyl-pyrrolo[2,3-d]pyrimidin-6-one · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 755 | 0.71 | 0.77 | 74 | 6Z5 |
| 2 | 684 | 0.70 | 0.77 | 64 | 6Z5 |
| 3 | 233 | 0.56 | 0.78 | 28 | empty |
| 4 | 194 | 0.53 | 0.78 | 22 | empty |
| 5 | 79 | 0.30 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1031 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 5KZ8 · Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo… · the same entry in another collection · chain A against A, TM-score 1.00
- Q7KZI7 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase MARK2 (Q7KZI7) · 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 Q7KZI7
- Elsewhere: RCSB PDB 5KZ8 · PDBe 5KZ8 · UniProt Q7KZI7
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