Chlorine 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:

Nickel	(Ni)	1 atom
Zinc	(Zn)	1 atom
Sodium	(Na)	1 atom

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of KDM4D with Tetrazole Compound 4, PDB code: 6ett:

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl419 b:25.6 occ:1.00 HD22 A:ASN128 2.6 26.4 1.0 HZ2 A:LYS186 2.9 17.1 1.0 HZ1 A:LYS186 3.0 17.1 1.0 HZ2 A:TRP185 3.0 12.3 1.0 HG3 A:PRO113 3.0 18.3 1.0 HE3 A:LYS186 3.1 15.2 1.0 HB2 A:ASN128 3.1 19.5 1.0 O A:HOH838 3.2 36.6 1.0 NZ A:LYS186 3.2 14.3 1.0 HE1 A:TRP185 3.3 12.6 1.0 HB3 A:LYS124 3.3 15.9 0.5 HB3 A:LYS124 3.4 15.6 0.5 ND2 A:ASN128 3.4 22.0 1.0 CE A:LYS186 3.6 12.6 1.0 HB3 A:ASN128 3.7 19.5 1.0 CB A:ASN128 3.8 16.3 1.0 CZ2 A:TRP185 3.8 10.2 1.0 HD21 A:ASN128 3.9 26.4 1.0 HE2 A:LYS186 4.0 15.2 1.0 CG A:PRO113 4.0 15.2 1.0 CG A:ASN128 4.0 20.1 1.0 NE1 A:TRP185 4.0 10.5 1.0 HZ3 A:LYS186 4.1 17.1 1.0 HD3 A:PRO113 4.2 17.6 1.0 O1 A:EDO408 4.2 23.6 1.0 HB3 A:PRO113 4.3 18.7 1.0 CE2 A:TRP185 4.3 10.0 1.0 O A:LYS124 4.3 12.1 1.0 H12 A:EDO408 4.3 31.6 1.0 CB A:LYS124 4.3 13.2 0.5 CB A:LYS124 4.3 13.0 0.5 HD3 A:LYS124 4.4 19.8 0.5 HO2 A:EDO404 4.4 46.8 1.0 HD3 A:LYS124 4.5 19.1 0.5 O2 A:EDO408 4.5 29.5 1.0 HO1 A:EDO408 4.5 28.3 1.0 HG2 A:PRO113 4.6 18.3 1.0 CD A:PRO113 4.6 14.7 1.0 O A:HOH606 4.6 25.0 1.0 CB A:PRO113 4.6 15.6 1.0 HG2 A:LYS124 4.7 16.6 0.5 HB2 A:LYS124 4.7 15.9 0.5 C A:LYS124 4.7 11.2 1.0 HB2 A:LYS124 4.8 15.6 0.5 C1 A:EDO408 4.8 26.3 1.0 HG2 A:LYS124 4.9 17.3 0.5 O2 A:EDO404 4.9 39.0 1.0 CG A:LYS124 5.0 13.9 0.5 CH2 A:TRP185 5.0 10.6 1.0 HB2 A:PRO113 5.0 18.7 1.0 HD2 A:PRO113 5.0 17.6 1.0

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