Research workbench
The complex structure of checkpoint kinase CHK1/UCN-01
Analyse The complex structure of checkpoint kinase CHK1/UCN-01 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1NVQ
- Type
- protein
- Length
- 269 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase CHK1; Peptide asvsa
- EC
- 2.7.1.-
- UniProt
- O14757
- Ligands
- UCN, SO4
- Pockets
- 1 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase CHK1 (EC 2.7.1.-) | protein | 264 | 32% helix, 22% strand | O14757 |
| B | Peptide asvsa | protein | 5 | 0% helix, 60% strand | — |
Ligands and binding sites
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 | 258 | 0.61 | 0.80 | 29 | UCN |
Interfaces
1 interface between chains.
- A–B · 354 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 1NVQ · The Complex Structure Of Checkpoint Kinase Chk1/UCN-01 · the same entry in another collection · chain A against A, TM-score 1.00
- O14757 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase CHK1 (O14757) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 1NVQ · PDBe 1NVQ · UniProt O14757
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