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PH domain and btk motif from BRUTON'S tyrosine kinase mutant E41K in complex with INS(1,3,4,5)P4
Analyse PH domain and btk motif from BRUTON'S tyrosine kinase mutant E41K in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1BWN
- Type
- protein
- Length
- 327 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BRUTON'S tyrosine kinase
- EC
- 2.7.1.112
- UniProt
- Q06187
- Ligands
- 4IP, ZN
- Pockets
- 5 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 16% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BRUTON'S tyrosine kinase (EC 2.7.1.112) | protein | 166 | 16% helix, 37% strand | Q06187 |
| B | BRUTON'S tyrosine kinase (EC 2.7.1.112) | protein | 161 | 16% helix, 35% strand | Q06187 |
Ligands and binding sites
- 4IP · Inositol-(1,3,4,5)-tetrakisphosphate · ligand · 4 copies · chains A, B
- ZN · Zinc ion · metal · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 74 | 0.49 | 0.84 | 20 | empty |
| 2 | 75 | 0.44 | 0.81 | 19 | empty |
| 3 | 56 | 0.31 | 0.76 | 13 | empty |
| 4 | 69 | 0.29 | 0.73 | 14 | 4IP |
| 5 | 55 | 0.27 | 0.73 | 14 | 4IP |
Interfaces
1 interface between chains.
- A–B · 1181 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 1BWN · PH domain and btk motif from BRUTON'S tyrosine kinase mutant E41K in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q06187 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase btk (Q06187) · a predicted model of the same protein · chain B 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 Q06187
- Elsewhere: RCSB PDB 1BWN · PDBe 1BWN · UniProt Q06187
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