Chlorine in PDB 1dhi: 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: 1dhi was solved by S.J.Oatley, J.E.Villafranca, 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 / 1.90
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	93.190, 93.190, 73.920, 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 1dhi). 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: 1dhi:
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:22.0 occ:1.00 O A:HOH464 3.1 32.1 1.0 N A:GLY96 3.2 15.2 1.0 O A:HOH595 3.2 72.3 1.0 N A:THR46 3.4 15.2 1.0 O A:HOH435 3.4 42.3 1.0 OG1 A:THR46 3.5 19.2 1.0 N A:HIS45 3.5 20.2 1.0 CB A:HIS45 3.5 15.8 1.0 CA A:GLY43 3.5 18.3 1.0 C A:GLY43 3.5 20.7 1.0 CA A:GLY96 3.7 11.9 1.0 O A:GLY43 3.9 18.6 1.0 N A:ARG44 3.9 16.4 1.0 N A:GLY43 3.9 19.4 1.0 CA A:HIS45 3.9 16.1 1.0 ND1 A:HIS45 4.0 26.2 1.0 CB A:THR46 4.0 14.2 1.0 C A:HIS45 4.1 17.4 1.0 C A:GLY95 4.1 19.3 1.0 O A:GLY95 4.2 19.9 1.0 CG A:HIS45 4.2 17.1 1.0 O A:HOH427 4.3 52.7 1.0 CA A:THR46 4.3 13.6 1.0 O A:HOH465 4.4 45.2 1.0 C A:ARG44 4.4 19.0 1.0 C A:GLY96 4.6 21.2 1.0 CA A:ARG44 4.7 17.7 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:26.6 occ:1.00 O B:HOH738 3.1 36.6 1.0 N B:GLY96 3.2 17.4 1.0 N B:THR46 3.2 27.4 1.0 OG1 B:THR46 3.3 24.3 1.0 CA B:GLY43 3.4 27.1 1.0 C B:GLY43 3.6 25.7 1.0 N B:HIS45 3.6 22.6 1.0 CA B:GLY96 3.8 18.9 1.0 N B:GLY43 3.9 18.4 1.0 CB B:HIS45 3.9 34.3 1.0 CB B:THR46 3.9 27.4 1.0 O B:GLY43 3.9 25.2 1.0 CA B:HIS45 3.9 22.1 1.0 N B:ARG44 4.0 29.6 1.0 C B:HIS45 4.0 37.8 1.0 C B:GLY95 4.1 21.5 1.0 CA B:THR46 4.1 23.6 1.0 O B:GLY95 4.2 23.0 1.0 C B:ARG44 4.5 23.0 1.0 O B:HOH737 4.6 61.0 1.0 CD2 B:HIS45 4.6 59.8 1.0 CG B:HIS45 4.6 82.4 1.0 CG2 B:VAL99 4.8 21.0 1.0 C B:GLY96 4.8 19.0 1.0 O B:HOH632 4.8 32.5 1.0 CA B:ARG44 4.8 28.4 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