Chlorine 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:

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

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of KDM4D with Tetrazolhydrazide Compound 3, PDB code: 6etw:

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl402 b:42.6 occ:1.00 HZ1 A:LYS186 2.7 24.1 1.0 HD22 A:ASN128 2.8 31.1 1.0 HZ2 A:TRP185 3.0 14.4 1.0 HG3 A:PRO113 3.2 23.3 1.0 HE3 A:LYS186 3.2 21.0 1.0 HB2 A:ASN128 3.2 25.1 1.0 O A:HOH886 3.3 51.8 1.0 O A:HOH692 3.3 50.5 1.0 HZ2 A:LYS186 3.3 24.1 1.0 NZ A:LYS186 3.3 20.1 1.0 HE1 A:TRP185 3.3 15.6 1.0 HB3 A:LYS124 3.4 17.9 1.0 ND2 A:ASN128 3.5 25.9 1.0 CE A:LYS186 3.7 17.5 1.0 CZ2 A:TRP185 3.8 12.0 1.0 CB A:ASN128 3.9 20.9 1.0 HB3 A:ASN128 3.9 25.1 1.0 HD21 A:ASN128 4.0 31.1 1.0 NE1 A:TRP185 4.0 13.0 1.0 HO2 A:EDO403 4.1 54.6 1.0 HE2 A:LYS186 4.1 21.0 1.0 HZ3 A:LYS186 4.1 24.1 1.0 CG A:PRO113 4.1 19.4 1.0 CG A:ASN128 4.1 25.3 1.0 HD3 A:PRO113 4.2 21.6 1.0 HB3 A:PRO113 4.3 22.6 1.0 CE2 A:TRP185 4.3 11.8 1.0 HD3 A:LYS124 4.3 25.3 1.0 CB A:LYS124 4.3 14.9 1.0 O A:HOH725 4.4 32.3 1.0 O A:LYS124 4.4 14.6 1.0 O2 A:EDO403 4.6 45.5 1.0 CD A:PRO113 4.7 18.0 1.0 CB A:PRO113 4.7 18.8 1.0 HG2 A:PRO113 4.7 23.3 1.0 HB2 A:LYS124 4.7 17.9 1.0 C A:LYS124 4.8 13.2 1.0 O A:HOH661 4.8 30.2 1.0 HG2 A:LYS124 4.9 20.5 1.0 CH2 A:TRP185 5.0 12.4 1.0

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