Chlorine in PDB 1dhj: Long-Range Structural Effects in A Second-Site Revertant of A Mutant Dihydrofolate Reductase

All present enzymatic activity of Long-Range Structural Effects in A Second-Site Revertant of A Mutant Dihydrofolate Reductase:
1.5.1.3;

The structure of Long-Range Structural Effects in A Second-Site Revertant of A Mutant Dihydrofolate Reductase, PDB code: 1dhj was solved by K.A.Brown, J.Kraut, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 1.80
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	92.490, 92.490, 73.720, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The structure of Long-Range Structural Effects in A Second-Site Revertant of A Mutant Dihydrofolate Reductase also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Long-Range Structural Effects in A Second-Site Revertant of A Mutant Dihydrofolate Reductase (pdb code 1dhj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Long-Range Structural Effects in A Second-Site Revertant of A Mutant Dihydrofolate Reductase, PDB code: 1dhj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Long-Range Structural Effects in A Second-Site Revertant of A Mutant Dihydrofolate Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Long-Range Structural Effects in A Second-Site Revertant of A Mutant Dihydrofolate Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:30.4 occ:1.00 N A:GLY96 3.1 12.5 1.0 O A:HOH435 3.1 46.6 1.0 O A:HOH464 3.2 29.3 1.0 OG1 A:THR46 3.3 15.3 1.0 N A:THR46 3.3 22.9 1.0 O A:HOH598 3.4 60.9 1.0 CA A:GLY43 3.5 18.8 1.0 C A:GLY43 3.5 27.1 1.0 CB A:HIS45 3.5 12.6 1.0 N A:HIS45 3.5 16.9 1.0 CA A:GLY96 3.8 11.7 1.0 O A:GLY43 3.8 18.3 1.0 N A:GLY43 3.9 22.2 1.0 N A:ARG44 3.9 19.4 1.0 CA A:HIS45 3.9 13.1 1.0 C A:GLY95 4.0 13.4 1.0 CB A:THR46 4.0 16.6 1.0 O A:GLY95 4.0 18.8 1.0 C A:HIS45 4.1 21.8 1.0 CA A:THR46 4.2 16.4 1.0 O A:HOH427 4.3 54.1 1.0 ND1 A:HIS45 4.4 44.5 1.0 C A:ARG44 4.4 17.9 1.0 CG A:HIS45 4.5 33.7 1.0 O A:HOH465 4.6 48.7 1.0 C A:GLY96 4.7 13.5 1.0 CA A:ARG44 4.7 20.9 1.0 O A:HOH599 4.9 58.6 1.0

Chlorine binding site 2 out of 2 in the Long-Range Structural Effects in A Second-Site Revertant of A Mutant Dihydrofolate Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Long-Range Structural Effects in A Second-Site Revertant of A Mutant Dihydrofolate Reductase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl605 b:20.0 occ:1.00 O B:HOH742 2.9 34.4 1.0 N B:GLY96 3.2 13.2 1.0 N B:THR46 3.2 19.3 1.0 OG1 B:THR46 3.3 17.4 1.0 CA B:GLY43 3.5 17.0 1.0 N B:HIS45 3.5 13.1 1.0 C B:GLY43 3.6 15.2 1.0 CA B:GLY96 3.8 11.4 1.0 CB B:THR46 3.8 15.8 1.0 O B:GLY43 3.9 12.1 1.0 N B:GLY43 3.9 14.4 1.0 CB B:HIS45 3.9 23.2 1.0 CA B:HIS45 3.9 12.8 1.0 C B:HIS45 4.0 23.2 1.0 N B:ARG44 4.0 19.3 1.0 CA B:THR46 4.1 12.1 1.0 C B:GLY95 4.2 15.3 1.0 O B:GLY95 4.3 16.9 1.0 O B:HOH741 4.5 49.4 1.0 C B:ARG44 4.5 15.9 1.0 CD2 B:HIS45 4.7 49.9 1.0 CG B:HIS45 4.7 46.0 1.0 C B:GLY96 4.8 10.3 1.0 O B:HOH633 4.8 24.2 1.0 CA B:ARG44 4.8 18.4 1.0

K.A.Brown, E.E.Howell, J.Kraut. Long-Range Structural Effects in A Second-Site Revertant of A Mutant Dihydrofolate Reductase. Proc.Natl.Acad.Sci.Usa V. 90 11753 1993.
ISSN: ISSN 0027-8424
PubMed: 8265622
DOI: 10.1073/PNAS.90.24.11753