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WEE1 kinase complex with inhibitor PD352396

Analyse WEE1 kinase complex with inhibitor PD352396 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3BI6
Type: protein
Length: 258 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: WEE1-like protein kinase
EC: 2.7.10.2
UniProt: P30291
Ligands: 396, CL
Pockets: 2 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	WEE1-like protein kinase (EC 2.7.10.2)	protein	258	40% helix, 19% strand	P30291

Ligands and binding sites

396 · 4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-g]carbazole-8-carboxamide · ligand · chains A
CL · Chloride 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	376	0.65	0.79	40	396
2	81	0.40	0.78	14	CL

Compared structures

3BI6 · Wee1 kinase complex with inhibitor PD352396 · 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 3BI6 · PDBe 3BI6 · UniProt P30291

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