MolNFT v1 · #105654 · protein

Crystal structure of SER/THR kinase PIM1 in complex with mitoxantrone derivatives

4RBL · SERINE/THREONINE-protein kinase pim-1: “Crystal structure of SER/THR kinase PIM1 in complex with mitoxantrone derivatives”. X-ray diffraction, 1 ligand (3O7), 2 pockets (best druggability 0.64). MolNFT v1 #105654 on GenesisL1: 3D…

PDB: 4RBL
Type: protein
Length: 272 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: 3O7
Pockets: 2 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SERINE/THREONINE-protein kinase pim-1 (EC 2.7.11.1)	protein	272	40% helix, 22% strand	P11309

Ligands and binding sites

3O7 · 1,4,5,8-tetrahydroxyanthracene-9,10-dione · 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	255	0.64	0.81	25	3O7
2	113	0.47	0.80	20	empty

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

4RBL · Crystal structure of Ser/Thr kinase Pim1 in complex with Mitoxantrone derivatives · 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 4RBL · PDBe 4RBL · UniProt P11309

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