MolNFT v1 · #24436 · protein

Glycogen synthase kinase 3 beta complexed with 6-bromoindirubin-3'- oxime

1UV5 · Glycogen synthase kinase-3 beta: “Glycogen synthase kinase 3 beta complexed with 6-bromoindirubin-3'- oxime”. X-ray diffraction, 4 ligands (BRW, CO, PO4), 3 pockets (best druggability 0.65). MolNFT v1 #24436 on GenesisL1: 3D…

PDB: 1UV5
Type: protein
Length: 348 residues
Chains: 1
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: BRW, CO, PO4, CL
Pockets: 3 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glycogen synthase kinase-3 beta (EC 2.7.1.37)	protein	348	35% helix, 19% strand	P49841

Ligands and binding sites

BRW · 6-bromoindirubin-3'-oxime · ligand · chains A
CO · Cobalt (II) ion · metal · chains A
PO4 · Phosphate ion · ion · 2 copies · chains A
CL · Chloride ion · ion · chains A

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

Pockets

3 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	248	0.65	0.82	35	BRW, CO
2	52	0.32	0.76	13	empty
3	68	0.29	0.74	19	PO4

Compared structures

1UV5 · Glycogen synthase kinase 3 beta complexed with 6-bromoindirubin-3'-oxime · 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 1UV5 · PDBe 1UV5 · UniProt P49841

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