Chlorine in PDB 8t1q: Crystal Structure of Human CPSF73 Catalytic Segment in Complex with Compound 1

The structure of Crystal Structure of Human CPSF73 Catalytic Segment in Complex with Compound 1, PDB code: 8t1q was solved by J.Huang, L.Tong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.22 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.074, 82.032, 102.835, 90, 90, 90
R / Rfree (%)	18.3 / 21.5

The structure of Crystal Structure of Human CPSF73 Catalytic Segment in Complex with Compound 1 also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human CPSF73 Catalytic Segment in Complex with Compound 1 (pdb code 8t1q). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human CPSF73 Catalytic Segment in Complex with Compound 1, PDB code: 8t1q:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human CPSF73 Catalytic Segment in Complex with Compound 1


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 Human CPSF73 Catalytic Segment in Complex with Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:77.0 occ:1.00 NZ A:LYS33 3.0 60.1 1.0 NH2 A:ARG35 4.0 53.6 1.0 NH1 A:ARG35 4.0 55.5 1.0 CE A:LYS33 4.0 53.7 1.0 CB A:ALA170 4.1 46.6 1.0 CD A:LYS33 4.5 48.5 1.0 CZ A:ARG35 4.5 55.4 1.0 CA A:ALA170 4.9 40.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human CPSF73 Catalytic Segment in Complex with Compound 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human CPSF73 Catalytic Segment in Complex with Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:77.9 occ:1.00 NH2 A:ARG15 3.5 41.7 1.0 NH1 A:ARG15 3.6 39.7 1.0 O A:HOH746 3.6 44.3 1.0 CZ A:ARG15 4.0 43.8 1.0 CB A:ALA453 4.3 38.1 1.0

J.Huang, L.Tong. Anticancer Benzoxaboroles Inhibit Pre-Mrna Processing By Direct Inhibition of CPSF3 To Be Published.