MolNFT v1 · #106315 · protein
CHK1 kinase domain with diazacarbazole compound 8: N-[3-(6-cyano-9H- PYRROLO[2,3-B:5,4-C']DIPYRIDIN-3-YL)PHENYL]ACETAMIDE
4RVK · SERINE/THREONINE-protein kinase CHK1: “CHK1 kinase domain with diazacarbazole compound 8: N-[3-(6-cyano-9H…”. X-ray diffraction, 1 ligand (3XK), 1 pocket (best druggability 0.63). MolNFT v1 #106315 on GenesisL1: 3D structure…
- PDB
- 4RVK
- Type
- protein
- Length
- 264 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase CHK1
- EC
- 2.7.11.1
- UniProt
- O14757
- Ligands
- 3XK
- Pockets
- 1 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase CHK1 (EC 2.7.11.1) | protein | 264 | 32% helix, 22% strand | O14757 |
Ligands and binding sites
- 3XK · N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide · 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 | 233 | 0.63 | 0.82 | 34 | 3XK |
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 O14757
- Elsewhere: RCSB PDB 4RVK · PDBe 4RVK · UniProt O14757
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