Nickel 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:

Chlorine	(Cl)	4 atoms
Zinc	(Zn)	1 atom

The binding sites of Nickel 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 Nickel atom.
In total only one binding site of Nickel 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:

Nickel 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 Nickel with other atoms in the Ni 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:Ni1349 b:20.3 occ:1.00 O A:HOH2221 2.0 22.7 1.0 NE2 A:HIS278 2.1 17.9 1.0 OE2 A:GLU192 2.1 20.0 1.0 NE2 A:HIS190 2.1 19.7 1.0 O A:HOH2227 2.2 23.3 1.0 N10 A:EM61350 2.3 18.5 1.0 CE1 A:HIS278 2.9 21.5 1.0 CE1 A:HIS190 3.0 24.5 1.0 CD2 A:HIS278 3.1 17.4 1.0 CD A:GLU192 3.2 20.8 1.0 CD2 A:HIS190 3.2 17.9 1.0 C09 A:EM61350 3.4 22.8 1.0 OE1 A:GLU192 3.6 23.2 1.0 ND1 A:HIS278 4.1 16.7 1.0 O A:HOH2217 4.1 40.1 1.0 ND1 A:HIS190 4.2 20.3 1.0 CG A:HIS278 4.2 17.1 1.0 CG A:HIS190 4.3 17.6 1.0 O A:HOH2346 4.3 42.5 1.0 OG A:SER198 4.3 21.0 1.0 O A:HOH2232 4.4 24.0 1.0 CG A:GLU192 4.4 19.5 1.0 C08 A:EM61350 4.7 20.3 1.0

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