MolNFT v2 · #129998 · protein
Structure of CHK1 10-pt. mutant complex with AMP-PNP
5OOP · Serine/threonine-protein kinase Chk1: “Structure of CHK1 10-pt. mutant complex with AMP-PNP”. X-ray diffraction at 1.7, 1 ligand (ANP), 1 pocket (best druggability 0.63). MolNFT v2 #129998 on GenesisL1: 3D structure, binding sites…
- PDB
- 5OOP
- Type
- protein
- Length
- 261 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.7
- Source
- Homo sapiens
- Molecule
- Serine/threonine-protein kinase Chk1
- EC
- 2.7.11.1
- UniProt
- O14757
- Ligands
- ANP
- Pockets
- 1 · best druggability 0.63
Structure
x-ray diffraction · resolution 1.7 · 1 distinct chain · 33% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serine/threonine-protein kinase Chk1 (EC 2.7.11.1) | protein | 261 | 33% helix, 23% strand | O14757 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · 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 | 313 | 0.63 | 0.79 | 35 | ANP |
Compared structures
- 5OOP · Structure of CHK1 10-pt. mutant complex with AMP-pnp · 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 0.98
- 2C3K · Identification of a buried pocket for potent and selective inhibition of CHK1: prediction… · a predicted model of the same protein · chain A against A, TM-score 0.98
- 2C3L · Identification of a buried pocket for potent and selective inhibition of CHK1: prediction… · a predicted model of the same protein · chain A against A, TM-score 0.97
- 2C3J · Identification of a buried pocket for potent and selective inhibition of CHK1: prediction… · a predicted model of the same protein · chain A against A, TM-score 0.96
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 5OOP · PDBe 5OOP · UniProt O14757
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