MolNFT v1 · #136926 · protein

PIM1 kinase in complex with CPD1 (1-methyl-4-(3-(6-(piperazin-1-yl) pyridin-2-yl)-1H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PIPERAZIN-2-one)

5V80 · SERINE/THREONINE-protein kinase pim-1: “PIM1 kinase in complex with CPD1 (1-methyl-4-(3-(6-(piperazin-1-yl)…”. X-ray diffraction, 2 ligands (971, PO4), 1 pocket (best druggability 0.67). MolNFT v1 #136926 on GenesisL1: 3D structure…

PDB: 5V80
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: 971, PO4
Pockets: 1 · best druggability 0.67

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

971 · 1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one · ligand · chains A
PO4 · Phosphate ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	364	0.67	0.81	44	971

Compared structures

5V80 · PIM1 kinase in complex with Cpd1 (1-methyl-4-(3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazo… · 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 5V80 · PDBe 5V80 · UniProt P11309

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