MolNFT v1 · #18899 · protein

Gsk-3 beta complexed with staurosporine

1Q3D · Glycogen synthase kinase-3 beta: “Gsk-3 beta complexed with staurosporine”. X-ray diffraction, 1 ligand (STU), 8 pockets (best druggability 0.76). MolNFT v1 #18899 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1Q3D
Type: protein
Length: 678 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glycogen synthase kinase-3 beta
EC: 2.7.1.37
UniProt: P49841
Ligands: STU
Pockets: 8 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glycogen synthase kinase-3 beta (EC 2.7.1.37)	protein	339	35% helix, 19% strand	P49841
B	Glycogen synthase kinase-3 beta (EC 2.7.1.37)	protein	339	34% helix, 19% strand	P49841

Ligands and binding sites

STU · Staurosporine · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	935	0.76	0.78	76	STU
2	95	0.73	0.96	29	empty
3	681	0.71	0.78	49	empty
4	449	0.68	0.79	44	STU
5	109	0.47	0.80	23	empty

Interfaces

1 interface between chains.

A–B · 1014 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

1Q3D · GSK-3 Beta complexed with Staurosporine · 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 P49841
Elsewhere: RCSB PDB 1Q3D · PDBe 1Q3D · UniProt P49841

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