MolNFT v1 · #108158 · protein
Structure of MLK1 kinase domain with leucine zipper 1
4UY9 · Mitogen-activated protein kinase kinase kinase 9: “Structure of MLK1 kinase domain with leucine zipper 1”. X-ray diffraction, 3 pockets (best druggability 0.74). MolNFT v1 #108158 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4UY9
- Type
- protein
- Length
- 628 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase kinase kinase 9
- EC
- 2.7.11.25
- UniProt
- P80192
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase kinase kinase 9 (EC 2.7.11.25) | protein | 313 | 46% helix, 14% strand | P80192 |
| B | Mitogen-activated protein kinase kinase kinase 9 (EC 2.7.11.25) | protein | 315 | 47% helix, 14% strand | P80192 |
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 500 | 0.74 | 0.83 | 56 | empty |
| 2 | 310 | 0.67 | 0.82 | 43 | empty |
| 3 | 67 | 0.34 | 0.76 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 241 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4UY9 · Structure of MLK1 kinase domain with leucine zipper 1 · the same entry in another collection · chain A against A, TM-score 1.00
- P80192 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase kinase kinase 9… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P80192
- Elsewhere: RCSB PDB 4UY9 · PDBe 4UY9 · UniProt P80192
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