Chlorine in PDB 5dxv: Crystal Structure of Rethreaded Dhfr

The structure of Crystal Structure of Rethreaded Dhfr, PDB code: 5dxv was solved by S.Faham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.55
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	44.817, 120.054, 111.187, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 21.4

The binding sites of Chlorine atom in the Crystal Structure of Rethreaded Dhfr (pdb code 5dxv). 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 Rethreaded Dhfr, PDB code: 5dxv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Rethreaded Dhfr


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 Rethreaded Dhfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:34.2 occ:1.00 O A:HOH372 3.0 31.6 1.0 NE1 A:TRP27 3.2 23.7 1.0 N A:GLU23 3.4 29.3 1.0 CA A:TYR22 3.9 27.5 1.0 CB A:TYR22 3.9 29.0 1.0 CD1 A:TRP27 4.1 22.3 1.0 CD2 A:LEU121 4.1 26.1 1.0 C A:TYR22 4.1 31.0 1.0 CB A:GLU23 4.2 33.5 1.0 CE2 A:TRP27 4.3 22.3 1.0 CG A:LEU121 4.3 22.3 1.0 CA A:GLU23 4.3 30.9 1.0 CD1 A:LEU121 4.4 23.6 1.0 O A:GLU23 4.6 30.0 1.0 CZ2 A:TRP27 4.6 23.0 1.0 OD1 A:ASP26 4.7 56.0 1.0 O A:HOH386 4.7 40.0 1.0 NH1 A:ARG146 4.8 28.9 1.0 CB A:ASP26 4.8 32.8 1.0 O A:ASP21 4.9 39.5 1.0 C A:GLU23 4.9 33.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Rethreaded Dhfr


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 Rethreaded Dhfr within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:28.8 occ:1.00 OG1 B:THR63 3.1 28.8 1.0 N B:GLY113 3.2 25.9 1.0 N B:THR63 3.3 28.7 1.0 CA B:GLY60 3.4 22.8 1.0 C B:GLY60 3.4 24.8 1.0 O B:HOH454 3.5 35.1 1.0 N B:HIS62 3.6 30.9 1.0 O B:HOH418 3.7 35.7 1.0 CB B:HIS62 3.7 33.0 1.0 CB B:THR63 3.8 26.5 1.0 O B:GLY60 3.8 23.3 1.0 N B:GLY60 3.8 23.0 1.0 N B:ARG61 3.9 28.1 1.0 CA B:GLY113 3.9 23.9 1.0 CA B:HIS62 4.0 30.1 1.0 C B:HIS62 4.1 32.5 1.0 C B:GLY112 4.1 24.4 1.0 O B:GLY112 4.1 22.2 1.0 CA B:THR63 4.1 27.8 1.0 C B:ARG61 4.5 28.1 1.0 CG B:HIS62 4.7 37.0 1.0 CA B:ARG61 4.8 29.6 1.0 C B:GLY113 4.8 25.4 1.0 CD2 B:HIS62 4.9 43.5 1.0 O B:HOH457 4.9 34.3 1.0

S.Agah, S.Poulos, A.Yu, I.Kucharska, S.Faham. Protein Rethreading: A Novel Approach to Protein Design. Sci Rep V. 6 26847 2016.
ISSN: ESSN 2045-2322
PubMed: 27229326
DOI: 10.1038/SREP26847