MolNFT v1 · #85272 · protein

Crystal structure of PIM1 kinase with ETP46546

4A7C · Proto-oncogene SERINE/THREONINE-protein kinase pim-1: “Crystal structure of PIM1 kinase with ETP46546”. X-ray diffraction, 1 ligand (E46), 2 pockets (best druggability 0.66). MolNFT v1 #85272 on GenesisL1: 3D structure, binding…

PDB: 4A7C
Type: protein
Length: 274 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Proto-oncogene SERINE/THREONINE-protein kinase pim-1
EC: 2.7.1.37, 2.7.11.1
UniProt: P11309
Ligands: E46
Pockets: 2 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Proto-oncogene SERINE/THREONINE-protein kinase pim-1 (EC 2.7.1.37, 2.7.11.1)	protein	274	41% helix, 23% strand	P11309

Ligands and binding sites

E46 · N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-b]pyridin-5-amine · ligand · chains A
IMD · Imidazole · additive · chains A
ACT · Acetate ion · additive · 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	248	0.66	0.83	26	E46
2	141	0.49	0.79	27	empty

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

4A7C · Crystal structure of PIM1 kinase with ETP46546 · 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 4A7C · PDBe 4A7C · UniProt P11309

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