Research workbench
Crystal structure of the KA1 domain from human CHK1
Analyse Crystal structure of the KA1 domain from human CHK1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5WI2
- Type
- protein
- Length
- 185 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cdna FLJ56409, highly similar to SERINE/THREONINE-protein kinase CHK1 (ec 2.7.11.1)
- UniProt
- B4DT73
- Pockets
- 2 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cdna FLJ56409, highly similar to SERINE/THREONINE-protein kinase CHK1 (ec 2.7.11.1) | protein | 92 | 34% helix, 38% strand | B4DT73 |
| B | Cdna FLJ56409, highly similar to SERINE/THREONINE-protein kinase CHK1 (ec 2.7.11.1) | protein | 93 | 33% helix, 41% strand | B4DT73 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 97 | 0.44 | 0.79 | 24 | empty |
| 2 | 51 | 0.34 | 0.79 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 476 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 5WI2 · Crystal structure of the KA1 domain from human Chk1 · the same entry in another collection · chain A against A, TM-score 1.00
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 B4DT73
- Elsewhere: RCSB PDB 5WI2 · PDBe 5WI2 · UniProt B4DT73
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