MolNFT v1 · #93613 · protein
Crystal structure of the tetratricopeptide repeat (tpr) motif of human dual specificity protein kinase MPS1
4H7Y · Dual specificity protein kinase ttk: “Crystal structure of the tetratricopeptide repeat (tpr) motif of human dual specificity protein kinase MPS1”. X-ray diffraction, 7 pockets (best druggability 0.75). MolNFT v1 #93613 on…
- PDB
- 4H7Y
- Type
- protein
- Length
- 556 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dual specificity protein kinase ttk
- EC
- 2.7.12.1
- UniProt
- P33981
- Pockets
- 7 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 74% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dual specificity protein kinase ttk (EC 2.7.12.1) | protein | 141 | 73% helix, 1% strand | P33981 |
| B | Dual specificity protein kinase ttk (EC 2.7.12.1) | protein | 139 | 74% helix, 1% strand | P33981 |
| C, D | Dual specificity protein kinase ttk (EC 2.7.12.1) | protein | 138 | 75% helix, 1% strand | P33981 |
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 872 | 0.75 | 0.79 | 72 | empty |
| 2 | 660 | 0.70 | 0.78 | 57 | empty |
| 3 | 111 | 0.52 | 0.83 | 23 | empty |
| 4 | 98 | 0.37 | 0.75 | 24 | empty |
| 5 | 77 | 0.35 | 0.76 | 16 | empty |
Interfaces
5 interfaces between chains.
- A–D · 970 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 940 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 751 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 71 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 51 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4H7Y · Crystal structure of the tetratricopeptide repeat (TPR) motif of human dual specificity… · the same entry in another collection · chain A against A, TM-score 1.00
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 P33981
- Elsewhere: RCSB PDB 4H7Y · PDBe 4H7Y · UniProt P33981
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