MolNFT v1 · #94685 · protein

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

4I41 · SERINE/THREONINE-protein kinase pim-1: “Crystal structure of human SER/THR kinase PIM1 in complex with mitoxantrone”. X-ray diffraction, 1 ligand (MIX), 3 pockets (best druggability 0.74). MolNFT v1 #94685 on GenesisL1: 3D…

PDB: 4I41
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: MIX
Pockets: 3 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 41% 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	41% helix, 23% strand	P11309

Ligands and binding sites

MIX · 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl) amino]ethyl}amino)-9,10-anthracenedione · ligand · 2 copies · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	65	0.74	0.98	27	empty
2	355	0.66	0.80	40	MIX
3	60	0.27	0.73	19	empty

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

4I41 · Crystal Structure of human Ser/Thr kinase Pim1 in complex with mitoxantrone · 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 4I41 · PDBe 4I41 · UniProt P11309

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