Chlorine in PDB 6g8f: Crystal Structure of Utx Complexed with Gsk-J1

The structure of Crystal Structure of Utx Complexed with Gsk-J1, PDB code: 6g8f was solved by C.Esposito, P.Sledz, A.Caflisch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.92 / 2.04
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	80.781, 82.338, 92.397, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 23.6

The structure of Crystal Structure of Utx Complexed with Gsk-J1 also contains other interesting chemical elements:

Manganese	(Mn)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Utx Complexed with Gsk-J1 (pdb code 6g8f). 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 Utx Complexed with Gsk-J1, PDB code: 6g8f:

Chlorine binding site 1 out of 1 in the Crystal Structure of Utx Complexed with Gsk-J1


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 Utx Complexed with Gsk-J1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1508 b:84.9 occ:1.00 N A:ALA1115 3.4 55.0 1.0 CB A:SER1114 3.8 52.5 1.0 CA A:SER1114 3.8 49.9 1.0 NH2 A:ARG1111 3.9 62.6 1.0 C A:SER1114 4.1 52.8 1.0 CB A:ALA1115 4.1 57.6 1.0 CA A:ALA1115 4.4 53.6 1.0 OG A:SER1114 4.7 52.9 1.0

C.Esposito, L.Wiedmer, A.Caflisch. In Silico Identification of JMJD3 Demethylase Inhibitors. J Chem Inf Model V. 58 2151 2018.
ISSN: ESSN 1549-960X
PubMed: 30226987
DOI: 10.1021/ACS.JCIM.8B00539