MolNFT v1 · #130312 · protein
Crystal structure of btk with cnx 774
5P9K · Tyrosine-protein kinase btk: “Crystal structure of btk with cnx 774”. X-ray diffraction, 1 ligand (7G8), 2 pockets (best druggability 0.71). MolNFT v1 #130312 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5P9K
- Type
- protein
- Length
- 271 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein kinase btk
- EC
- 2.7.10.2
- UniProt
- Q06187
- Ligands
- 7G8
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase btk (EC 2.7.10.2) | protein | 271 | 41% helix, 17% strand | Q06187 |
Ligands and binding sites
- 7G8 · 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino) phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 497 | 0.71 | 0.81 | 63 | 7G8 |
| 2 | 110 | 0.39 | 0.75 | 18 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
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 5P9K · PDBe 5P9K · UniProt Q06187
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