MolNFT v1 · #117052 · protein

Identification of N-(4-((1R,3S,5S)-3-amino-5-METHYLCYCLOHEXYL)PYRIDIN- 3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a potent and selective proviral insertion site of moloney murine leukemia (pim) 1,2 and 3 kinase inhibitor in clinical trials for hematological malignancies

5DWR · SERINE/THREONINE-protein kinase pim-1: “Identification of N-(4-((1R,3S,5S)-3-amino-5-METHYLCYCLOHEXYL)PYRIDIN…”. X-ray diffraction, 1 ligand (5H7), 2 pockets (best druggability 0.66). MolNFT v1 #117052 on GenesisL1: 3D structure…

PDB: 5DWR
Type: protein
Length: 274 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: 5H7
Pockets: 2 · best druggability 0.66

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	274	39% helix, 23% strand	P11309

Ligands and binding sites

5H7 · N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide · ligand · 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	257	0.66	0.82	28	5H7
2	113	0.47	0.80	25	empty

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

5DWR · Identification of N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluor… · 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 5DWR · PDBe 5DWR · UniProt P11309

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.