MolNFT v1 · #55192 · protein
Crystal structure of checkpoint kinase 2 in complex with PV788
2YCS · SERINE/THREONINE-protein kinase CHK2: “Crystal structure of checkpoint kinase 2 in complex with PV788”. X-ray diffraction, 2 ligands (NXP, NO3), 2 pockets (best druggability 0.61). MolNFT v1 #55192 on GenesisL1: 3D structure…
- PDB
- 2YCS
- Type
- protein
- Length
- 281 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase CHK2
- EC
- 2.7.11.1
- UniProt
- O96017
- Ligands
- NXP, NO3
- Pockets
- 2 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase CHK2 (EC 2.7.11.1) | protein | 281 | 42% helix, 17% strand | O96017 |
Ligands and binding sites
- NXP · N-{4-[(1E)-N-carbamimidoylethanehydrazonoyl]phenyl}-1H-indole-3-carboxamide · ligand · chains A
- NO3 · Nitrate ion · ion · 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 | 234 | 0.61 | 0.80 | 35 | NXP |
| 2 | 67 | 0.31 | 0.75 | 17 | empty |
Compared structures
- 2YCS · Crystal structure of checkpoint kinase 2 in complex with PV788 · the same entry in another collection · chain A against A, TM-score 1.00
- O96017 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase CHK2 (O96017) · a predicted model of the same protein · chain A against A, TM-score 0.85
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 O96017
- Elsewhere: RCSB PDB 2YCS · PDBe 2YCS · UniProt O96017
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.