MolNFT v1 · #109925 · protein

Crystal structure of proto-oncogene kinase PIM1 bound to hispidulin

4XH6 · SERINE/THREONINE-protein kinase pim-1: “Crystal structure of proto-oncogene kinase PIM1 bound to hispidulin”. X-ray diffraction, 1 ligand (HUL), 2 pockets (best druggability 0.65). MolNFT v1 #109925 on GenesisL1: 3D structure…

PDB: 4XH6
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: HUL
Pockets: 2 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 42% 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	42% helix, 23% strand	P11309

Ligands and binding sites

HUL · 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	220	0.65	0.83	25	HUL
2	122	0.49	0.80	27	empty

Compared structures

4XH6 · Crystal structure of proto-oncogene kinase Pim1 bound to hispidulin · 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 4XH6 · PDBe 4XH6 · UniProt P11309

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