Zinc in PDB 5fjk: Crystal Structure of Human JMJD2C Catalytic Domain in Complex 6-Ethyl-5-Methyl-7-Oxo-4,7-Dihydropyrazolo(1,5-A) Pyrimidine-3-Carbonitrile

The structure of Crystal Structure of Human JMJD2C Catalytic Domain in Complex 6-Ethyl-5-Methyl-7-Oxo-4,7-Dihydropyrazolo(1,5-A) Pyrimidine-3-Carbonitrile, PDB code: 5fjk was solved by V.Cecatiello, S.Pasqualato, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.774 / 1.66
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	89.900, 91.270, 98.990, 90.00, 90.00, 90.00
R / Rfree (%)	15.92 / 19.74

The structure of Crystal Structure of Human JMJD2C Catalytic Domain in Complex 6-Ethyl-5-Methyl-7-Oxo-4,7-Dihydropyrazolo(1,5-A) Pyrimidine-3-Carbonitrile also contains other interesting chemical elements:

Nickel	(Ni)	1 atom
Chlorine	(Cl)	4 atoms

The binding sites of Zinc atom in the Crystal Structure of Human JMJD2C Catalytic Domain in Complex 6-Ethyl-5-Methyl-7-Oxo-4,7-Dihydropyrazolo(1,5-A) Pyrimidine-3-Carbonitrile (pdb code 5fjk). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Human JMJD2C Catalytic Domain in Complex 6-Ethyl-5-Methyl-7-Oxo-4,7-Dihydropyrazolo(1,5-A) Pyrimidine-3-Carbonitrile, PDB code: 5fjk:

Zinc binding site 1 out of 1 in the Crystal Structure of Human JMJD2C Catalytic Domain in Complex 6-Ethyl-5-Methyl-7-Oxo-4,7-Dihydropyrazolo(1,5-A) Pyrimidine-3-Carbonitrile


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human JMJD2C Catalytic Domain in Complex 6-Ethyl-5-Methyl-7-Oxo-4,7-Dihydropyrazolo(1,5-A) Pyrimidine-3-Carbonitrile within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1348 b:29.1 occ:1.00 NE2 A:HIS242 2.1 29.4 1.0 SG A:CYS236 2.2 32.9 1.0 SG A:CYS310 2.2 67.3 1.0 SG A:CYS308 2.2 56.2 1.0 CD2 A:HIS242 3.1 29.1 1.0 CE1 A:HIS242 3.1 34.2 1.0 CB A:CYS236 3.2 31.8 1.0 CB A:CYS308 3.5 55.1 1.0 N A:CYS310 3.6 84.0 1.0 CB A:CYS310 3.7 82.2 1.0 N A:THR309 3.9 77.1 1.0 CA A:CYS308 4.0 48.7 1.0 C A:CYS308 4.1 65.1 1.0 OG1 A:THR309 4.2 94.9 1.0 CA A:CYS310 4.2 85.4 1.0 ND1 A:HIS242 4.2 28.7 1.0 CG A:HIS242 4.2 28.2 1.0 N A:ARG311 4.5 78.3 1.0 CA A:CYS236 4.5 30.6 1.0 CG A:ARG311 4.6 85.1 1.0 C A:THR309 4.6 88.5 1.0 CD A:ARG311 4.7 85.1 1.0 O A:ALA238 4.7 24.3 1.0 CA A:THR309 4.8 83.5 1.0 C A:CYS310 4.8 89.5 1.0 CA A:PHE239 4.9 25.9 1.0 C A:ALA238 4.9 23.6 1.0 O A:CYS308 4.9 69.8 1.0 CE A:MET314 4.9 90.9 1.0

V.Cecatiello, S.Pasqualato. Crystal Structures of Human JMJD2C Catalytic Domain Bound to Inhibitors To Be Published.