MolNFT v1 · #46497 · protein

Crystal structure of PIM1 with pentahydroxyflavone

2O65 · Proto-oncogene SERINE/THREONINE-protein kinase pim-1: “Crystal structure of PIM1 with pentahydroxyflavone”. X-ray diffraction, 1 ligand (MYF), 3 pockets (best druggability 0.68). MolNFT v1 #46497 on GenesisL1: 3D structure, binding…

PDB: 2O65
Type: protein
Length: 274 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: MYF
Pockets: 3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Proto-oncogene SERINE/THREONINE-protein kinase pim-1 (EC 2.7.11.1)	protein	274	38% helix, 20% strand	P11309

Ligands and binding sites

MYF · 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one · ligand · chains A
IMD · Imidazole · additive · chains A

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

Pockets

3 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	248	0.68	0.84	27	MYF
2	131	0.51	0.80	28	empty
3	59	0.26	0.73	16	empty

Compared structures

2O65 · Crystal structure of Pim1 with Pentahydroxyflavone · 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 2O65 · PDBe 2O65 · UniProt P11309

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