MolNFT v1 · #116542 · protein

Discovery of 3,5-substituted 6-azaindazoles as potent pan-pim inhibitors

5DGZ · SERINE/THREONINE-protein kinase pim-1: “Discovery of 3,5-substituted 6-azaindazoles as potent pan-pim inhibitors”. X-ray diffraction, 2 ligands (L20, PO4), 2 pockets (best druggability 0.64). MolNFT v1 #116542 on GenesisL1: 3D…

PDB: 5DGZ
Type: protein
Length: 273 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SERINE/THREONINE-protein kinase pim-1
EC: 2.7.11.1
UniProt: P11309
Ligands: L20, PO4
Pockets: 2 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SERINE/THREONINE-protein kinase pim-1 (EC 2.7.11.1)	protein	273	39% helix, 23% strand	P11309

Ligands and binding sites

L20 · (2S)-1-(1H-indol-3-yl)-3-{[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine · ligand · chains A
PO4 · Phosphate ion · ion · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	233	0.64	0.82	24	L20
2	111	0.56	0.84	23	empty

Compared structures

5DGZ · Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors · 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 P11309
Elsewhere: RCSB PDB 5DGZ · PDBe 5DGZ · UniProt P11309

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