MolNFT v1 · #122298 · protein
Crystal structure of bmp-2-inducible kinase in complex with an indazole inhibitor
5IKW · Bmp-2-inducible protein kinase: “Crystal structure of bmp-2-inducible kinase in complex with an indazole inhibitor”. X-ray diffraction, 1 ligand (6BU), 1 pocket (best druggability 0.71). MolNFT v1 #122298 on GenesisL1: 3D structure…
- PDB
- 5IKW
- Type
- protein
- Length
- 297 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bmp-2-inducible protein kinase
- EC
- 2.7.11.1
- UniProt
- Q9NSY1
- Ligands
- 6BU
- Pockets
- 1 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bmp-2-inducible protein kinase (EC 2.7.11.1) | protein | 297 | 37% helix, 20% strand | Q9NSY1 |
Ligands and binding sites
- 6BU · N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 326 | 0.71 | 0.84 | 40 | 6BU |
Compared structures
- 5IKW · Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NSY1 · AlphaFold monomer V2.0 prediction for bmp-2-inducible protein kinase (Q9NSY1) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q9NSY1
- Elsewhere: RCSB PDB 5IKW · PDBe 5IKW · UniProt Q9NSY1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.