MolNFT v1 · #58875 · protein

Human pim-1 complexed with a benzoisoxazole inhibitor VX1

3BGP · Proto-oncogene SERINE/THREONINE-protein kinase pim-1: “Human pim-1 complexed with a benzoisoxazole inhibitor VX1”. X-ray diffraction, 1 ligand (VX1), 2 pockets (best druggability 0.65). MolNFT v1 #58875 on GenesisL1: 3D structure…

PDB: 3BGP
Type: protein
Length: 273 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Proto-oncogene SERINE/THREONINE-protein kinase pim-1
EC: 2.7.11.1
UniProt: P11309
Ligands: VX1
Pockets: 2 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Proto-oncogene SERINE/THREONINE-protein kinase pim-1 (EC 2.7.11.1)	protein	273	35% helix, 22% strand	P11309

Ligands and binding sites

VX1 · 4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	252	0.65	0.82	28	VX1
2	126	0.52	0.81	22	empty

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

3BGP · Human Pim-1 complexed with a benzoisoxazole inhibitor VX1 · 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 3BGP · PDBe 3BGP · UniProt P11309

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