MolNFT v1 · #1550 · protein
PH domain from BRUTON'S tyrosine kinase in complex with inositol 1,3, 4,5-tetrakisphosphate
1B55 · Tyrosine-protein kinase btk: “PH domain from BRUTON'S tyrosine kinase in complex with inositol 1,3, 4,5-tetrakisphosphate”. X-ray diffraction, 2 ligands (4IP, ZN), 5 pockets (best druggability 0.44). MolNFT v1 #1550 on GenesisL1: 3D…
- PDB
- 1B55
- Type
- protein
- Length
- 325 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein kinase btk
- EC
- 2.7.1.112
- UniProt
- Q06187
- Ligands
- 4IP, ZN
- Pockets
- 5 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 13% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase btk (EC 2.7.1.112) | protein | 163 | 13% helix, 38% strand | Q06187 |
| B | Tyrosine-protein kinase btk (EC 2.7.1.112) | protein | 162 | 13% helix, 33% strand | Q06187 |
Ligands and binding sites
- 4IP · Inositol-(1,3,4,5)-tetrakisphosphate · ligand · 2 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 | 70 | 0.44 | 0.81 | 18 | empty |
| 2 | 64 | 0.41 | 0.81 | 18 | empty |
| 3 | 86 | 0.41 | 0.78 | 16 | empty |
| 4 | 74 | 0.35 | 0.76 | 15 | empty |
| 5 | 50 | 0.24 | 0.72 | 12 | 4IP |
Interfaces
1 interface between chains.
- A–B · 1018 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 1B55 · PH domain from BRUTON'S tyrosine kinase in complex with inositol 1,3,4,5-tetrakisphosphate · 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 A against A, TM-score 0.96
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 1B55 · PDBe 1B55 · UniProt Q06187
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