Chlorine in PDB 8t1r: Crystal Structure of Human CPSF73 Catalytic Segment in Complex with Compound 2

The structure of Crystal Structure of Human CPSF73 Catalytic Segment in Complex with Compound 2, PDB code: 8t1r 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)	64.25 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.803, 82.311, 102.784, 90, 90, 90
R / Rfree (%)	19.6 / 25

The structure of Crystal Structure of Human CPSF73 Catalytic Segment in Complex with Compound 2 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 2 (pdb code 8t1r). 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 2, PDB code: 8t1r:
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 2


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:82.2 occ:1.00 CE A:LYS33 3.6 74.6 1.0 NH1 A:ARG35 3.7 59.5 1.0 NH2 A:ARG35 3.8 62.6 1.0 CB A:ALA170 4.0 44.6 1.0 CZ A:ARG35 4.2 70.8 1.0 CD A:LYS33 4.4 69.9 1.0 NZ A:LYS33 4.7 83.0 1.0 CA A:ALA170 4.8 45.0 1.0

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


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:85.6 occ:1.00 O A:HOH670 3.0 54.0 1.0 NH2 A:ARG15 3.4 46.6 1.0 NH1 A:ARG15 3.6 40.6 1.0 CZ A:ARG15 4.0 46.7 1.0 CB A:ALA453 4.0 43.4 1.0

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