Nickel in PDB 6ett: Crystal Structure of KDM4D with Tetrazole Compound 4

The structure of Crystal Structure of KDM4D with Tetrazole Compound 4, PDB code: 6ett was solved by P.H.Malecki, A.Link, M.S.Weiss, U.Heinemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.75 / 1.26
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	71.450, 71.450, 150.539, 90.00, 90.00, 90.00
R / Rfree (%)	12.3 / 14.6

The structure of Crystal Structure of KDM4D with Tetrazole Compound 4 also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Chlorine	(Cl)	1 atom
Sodium	(Na)	1 atom

The binding sites of Nickel atom in the Crystal Structure of KDM4D with Tetrazole Compound 4 (pdb code 6ett). 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 KDM4D with Tetrazole Compound 4, PDB code: 6ett:

Nickel binding site 1 out of 1 in the Crystal Structure of KDM4D with Tetrazole Compound 4


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 KDM4D with Tetrazole Compound 4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni402 b:9.4 occ:1.00 OE2 A:GLU194 2.0 9.5 1.0 O A:HOH652 2.1 12.3 1.0 O A:HOH602 2.1 12.0 1.0 NE2 A:HIS192 2.1 9.3 1.0 O A:HOH623 2.1 12.1 1.0 NE2 A:HIS280 2.1 8.6 1.0 CE1 A:HIS192 3.0 9.2 1.0 CE1 A:HIS280 3.0 8.5 1.0 CD A:GLU194 3.1 10.2 1.0 HE1 A:HIS192 3.1 11.0 1.0 HE1 A:HIS280 3.1 10.2 1.0 CD2 A:HIS192 3.1 9.1 1.0 CD2 A:HIS280 3.2 8.2 1.0 HD2 A:HIS192 3.4 10.9 1.0 HD2 A:HIS280 3.4 9.9 1.0 OE1 A:GLU194 3.4 15.2 1.0 HG A:SER200 3.5 11.8 1.0 O A:HOH511 4.1 19.6 1.0 ND1 A:HIS192 4.1 9.3 1.0 ND1 A:HIS280 4.2 8.2 1.0 HG21 A:THR274 4.2 11.0 1.0 CG A:HIS192 4.2 8.6 1.0 O A:HOH761 4.2 14.8 1.0 CG A:HIS280 4.3 7.5 1.0 HZ1 A:LYS245 4.3 22.7 1.0 OG A:SER200 4.4 9.8 1.0 O A:HOH600 4.4 28.4 1.0 CG A:GLU194 4.4 8.9 1.0 NAA A:BXH418 4.4 13.8 1.0 HO2 A:EDO411 4.4 65.1 1.0 HG2 A:GLU194 4.4 10.7 1.0 O2 A:EDO411 4.5 54.2 1.0 HE3 A:LYS245 4.5 23.4 1.0 HZ3 A:TRP212 4.6 11.3 1.0 HB3 A:SER200 4.8 10.4 1.0 HG3 A:GLU194 4.8 10.7 1.0 HD2 A:PHE189 4.9 11.4 1.0 HA A:GLU194 4.9 10.0 1.0 O A:HOH690 4.9 28.9 1.0 HD1 A:HIS192 4.9 11.2 1.0 HD1 A:HIS280 4.9 9.8 1.0 NAC A:BXH418 5.0 13.5 1.0

P.H.Malecki, M.S.Weiss, U.Heinemann. Crystal Structure of KDM4D with Tetrazolylhydrazide Ligand NR016 To Be Published.