MolNFT v1 · #136927 · protein

PIM1 kinase in complex with CPD17 (1-(6-(4,4-difluoropiperidin-3-yl) pyridin-2-yl)-6-(6-methylpyrazin-2-yl)-1H-PYRAZOLO[4,3-C]PYRIDINE)

5V82 · SERINE/THREONINE-protein kinase pim-1: “PIM1 kinase in complex with CPD17 (1-(6-(4,4-difluoropiperidin-3-yl)…”. X-ray diffraction, 1 ligand (96Y), 2 pockets (best druggability 0.67). MolNFT v1 #136927 on GenesisL1: 3D structure…

PDB: 5V82
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: 96Y
Pockets: 2 · best druggability 0.67

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	273	39% helix, 23% strand	P11309

Ligands and binding sites

96Y · 1-{6-[(3R)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine · 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	241	0.67	0.83	28	96Y
2	111	0.49	0.81	23	empty

Compared structures

5V82 · PIM1 kinase in complex with Cpd17 (1-(6-(4,4-difluoropiperidin-3-yl)pyridin-2-yl)-6-(6-met… · 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 5V82 · PDBe 5V82 · UniProt P11309

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