MolNFT v1 · #116585 · protein

PIM1 in complex with CPD36 ((1S,3S)-N1-(6-(5-(pyridin-3-yl)-1H- PYRAZOLO[3,4-C]PYRIDIN-3-YL)PYRIDIN-2-YL)CYCLOHEXANE-1,3-diamine)

5DIA · SERINE/THREONINE-protein kinase pim-1: “PIM1 in complex with CPD36 ((1S,3S)-N1-(6-(5-(pyridin-3-yl)-1H…”. X-ray diffraction, 1 ligand (5E6), 2 pockets (best druggability 0.64). MolNFT v1 #116585 on GenesisL1: 3D structure, binding…

PDB: 5DIA
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: 5E6
Pockets: 2 · best druggability 0.64

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

5E6 · (1S,3S)-N-{6-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-yl}cyclohexane-1,3-diamine · 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	224	0.64	0.83	28	5E6
2	116	0.48	0.80	27	empty

Compared structures

5DIA · PIM1 in complex with Cpd36 ((1S,3S)-N1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl… · 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 5DIA · PDBe 5DIA · UniProt P11309

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