Nickel in PDB 6etw: Crystal Structure of KDM4D with Tetrazolhydrazide Compound 3

The structure of Crystal Structure of KDM4D with Tetrazolhydrazide Compound 3, PDB code: 6etw 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)	48.04 / 1.35
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	71.674, 71.674, 150.662, 90.00, 90.00, 90.00
R / Rfree (%)	12.8 / 15.9

The structure of Crystal Structure of KDM4D with Tetrazolhydrazide Compound 3 also contains other interesting chemical elements:

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

The binding sites of Nickel atom in the Crystal Structure of KDM4D with Tetrazolhydrazide Compound 3 (pdb code 6etw). 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 Tetrazolhydrazide Compound 3, PDB code: 6etw:

Nickel binding site 1 out of 1 in the Crystal Structure of KDM4D with Tetrazolhydrazide Compound 3


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 Tetrazolhydrazide Compound 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni409 b:11.5 occ:0.86 HAL A:BX5410 1.5 17.2 0.9 HAM A:BX5410 1.7 17.2 0.9 NAL A:BX5410 1.9 14.4 0.9 OE2 A:GLU194 2.0 12.4 1.0 O A:HOH631 2.1 16.1 1.0 NE2 A:HIS192 2.1 12.5 1.0 OAJ A:BX5410 2.1 13.9 0.9 NE2 A:HIS280 2.1 11.4 1.0 HAN A:BX5410 2.6 17.2 0.9 NAK A:BX5410 2.8 16.1 0.9 CAI A:BX5410 2.8 17.8 0.9 CE1 A:HIS280 3.0 11.5 1.0 CE1 A:HIS192 3.0 11.9 1.0 HE1 A:HIS280 3.1 13.8 1.0 CD A:GLU194 3.1 12.7 1.0 HE1 A:HIS192 3.1 14.2 1.0 CD2 A:HIS192 3.1 11.7 1.0 CD2 A:HIS280 3.2 11.6 1.0 HD2 A:HIS192 3.4 14.0 1.0 OE1 A:GLU194 3.4 18.4 1.0 HD2 A:HIS280 3.5 13.9 1.0 HAO A:BX5410 3.6 19.3 0.9 O A:HOH613 4.1 35.5 1.0 ND1 A:HIS192 4.1 12.3 1.0 ND1 A:HIS280 4.1 10.1 1.0 O A:HOH805 4.2 44.0 1.0 CG A:HIS192 4.2 11.0 1.0 CAH A:BX5410 4.3 22.1 0.9 CG A:HIS280 4.3 9.6 1.0 O A:HOH806 4.4 25.4 1.0 CG A:GLU194 4.4 10.9 1.0 HG2 A:GLU194 4.4 13.1 1.0 HG1 A:THR274 4.4 12.7 1.0 OG A:SER200 4.5 11.5 1.0 HG21 A:THR274 4.5 12.3 1.0 HAK A:BX5410 4.6 26.5 0.9 HG A:SER200 4.6 13.8 1.0 HB3 A:SER200 4.6 11.8 1.0 HZ2 A:LYS245 4.7 47.4 1.0 HAI A:BX5410 4.8 33.1 0.9 HAJ A:BX5410 4.8 26.5 0.9 HZ3 A:TRP212 4.8 13.0 1.0 HA A:GLU194 4.8 12.5 1.0 HG3 A:GLU194 4.8 13.1 1.0 HD1 A:HIS280 4.9 12.1 1.0 HD1 A:HIS192 4.9 14.8 1.0 HAH A:BX5410 4.9 33.1 0.9 CAG A:BX5410 5.0 27.6 0.9 HD2 A:PHE189 5.0 17.7 1.0 CB A:SER200 5.0 9.8 1.0

P.H.Malecki, A.Link, M.S.Weiss, U.Heinemann. Crystal Structure of KDM4D with Tetrazolylhydrazide Ligand CN3 To Be Published.