MolNFT v1 · #116562 · protein

PIM1 in complex with CPD4 (3-methyl-5-(pyridin-3-yl)-1H-PYRAZOLO[3,4- C]PYRIDINE)

5DHJ · SERINE/THREONINE-protein kinase pim-1: “PIM1 in complex with CPD4 (3-methyl-5-(pyridin-3-yl)-1H-PYRAZOLO[3,4- C]PYRIDINE)”. X-ray diffraction, 2 ligands (5E5, PO4), 2 pockets (best druggability 0.66). MolNFT v1 #116562 on GenesisL1…

PDB: 5DHJ
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: 5E5, PO4
Pockets: 2 · best druggability 0.66

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	273	40% helix, 22% strand	P11309

Ligands and binding sites

5E5 · 3-methyl-5-(pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridine · ligand · chains A
PO4 · Phosphate ion · ion · 2 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	260	0.66	0.82	26	5E5
2	127	0.52	0.81	21	empty

Compared structures

5DHJ · PIM1 in complex with Cpd4 (3-methyl-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine) · 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 5DHJ · PDBe 5DHJ · UniProt P11309

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