MolNFT v1 · #27056 · protein
Structure of human WEE1A kinase: kinase domain complexed with inhibitor PD0407824
1X8B · WEE1-like protein kinase: “Structure of human WEE1A kinase: kinase domain complexed with inhibitor PD0407824”. X-ray diffraction, 2 ligands (824, MG), 2 pockets (best druggability 0.65). MolNFT v1 #27056 on GenesisL1: 3D structure…
- PDB
- 1X8B
- Type
- protein
- Length
- 259 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- WEE1-like protein kinase
- EC
- 2.7.1.112
- UniProt
- P30291
- Ligands
- 824, MG
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | WEE1-like protein kinase (EC 2.7.1.112) | protein | 259 | 39% helix, 20% strand | P30291 |
Ligands and binding sites
- 824 · 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · 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 | 351 | 0.65 | 0.80 | 41 | 824 |
| 2 | 92 | 0.43 | 0.79 | 21 | empty |
Compared structures
- 1X8B · Structure of human Wee1A kinase: kinase domain complexed with inhibitor PD0407824 · the same entry in another collection · chain A against A, TM-score 1.00
- P30291 · AlphaFold monomer V2.0 prediction for WEE1-like protein kinase (P30291) · 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 P30291
- Elsewhere: RCSB PDB 1X8B · PDBe 1X8B · UniProt P30291
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