MolNFT v1 · #110851 · protein
Crystal structure of the pH-th-kinase construct of BRUTON'S tyrosine kinase (btk)
4Y93 · Non-specific protein-tyrosine KINASE,NON-specific protein…: “Crystal structure of the pH-th-kinase construct of BRUTON'S tyrosine kinase (btk)”. X-ray diffraction, 3 ligands (746, ZN, CA), 4 pockets (best druggability 0.73). MolNFT…
- PDB
- 4Y93
- Type
- protein
- Length
- 429 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Non-specific protein-tyrosine KINASE,NON-specific protein- tyrosine kinase
- EC
- 2.7.10.2
- UniProt
- Q3ZC95
- Ligands
- 746, ZN, CA
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Non-specific protein-tyrosine KINASE,NON-specific protein- tyrosine kinase (EC 2.7.10.2) | protein | 429 | 34% helix, 25% strand | Q3ZC95 |
Ligands and binding sites
- 746 · 4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide · ligand · chains A
- ZN · Zinc ion · metal · chains A
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 384 | 0.73 | 0.84 | 41 | 746 |
| 2 | 333 | 0.63 | 0.79 | 49 | empty |
| 3 | 82 | 0.55 | 0.86 | 20 | empty |
| 4 | 93 | 0.43 | 0.79 | 20 | empty |
Compared structures
- 4Y93 · Crystal structure of the PH-TH-kinase construct of Bruton's tyrosine kinase (Btk) · 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 Q3ZC95
- Elsewhere: RCSB PDB 4Y93 · PDBe 4Y93 · UniProt Q3ZC95
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