MolNFT v1 · #124482 · protein

Crystal structure of PIM1 with inhibitor: 3-(4-methoxyphenyl)-1~{H}- pyrazol-5-amine

5KGK · SERINE/THREONINE-protein kinase pim-1: “Crystal structure of PIM1 with inhibitor: 3-(4-methoxyphenyl)-1~{H}- pyrazol-5-amine”. X-ray diffraction, 2 ligands (6SD, SO4), 2 pockets (best druggability 0.63). MolNFT v1 #124482 on…

PDB: 5KGK
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: 6SD, SO4
Pockets: 2 · best druggability 0.63

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

6SD · 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine · ligand · chains A
SO4 · Sulfate ion · ion · 2 copies · chains A
EDO · 1,2-ethanediol · additive · 6 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	258	0.63	0.81	29	6SD
2	115	0.49	0.81	20	empty

Compared structures

5KGK · Crystal structure of PIM1 with inhibitor: 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine · 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 5KGK · PDBe 5KGK · UniProt P11309

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