MolNFT v1 · #100750 · protein

PIM1 complexed with a pyridylcarboxamide

4N6Z · SERINE/THREONINE-protein kinase pim-1: “PIM1 complexed with a pyridylcarboxamide”. X-ray diffraction, 1 ligand (2HW), 2 pockets (best druggability 0.61). MolNFT v1 #100750 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4N6Z
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: 2HW
Pockets: 2 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 40% 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	40% helix, 23% strand	P11309

Ligands and binding sites

2HW · 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide · ligand · chains A
GOL · Glycerol · additive · 3 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	199	0.61	0.82	25	2HW, GOL
2	78	0.49	0.84	21	GOL

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

4N6Z · Pim1 Complexed with a pyridylcarboxamide · 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 4N6Z · PDBe 4N6Z · UniProt P11309

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