Chlorine in PDB 7jp2: Crystal Structure of TP0037 From Treponema Pallidum, A D-Lactate Dehydrogenase

All present enzymatic activity of Crystal Structure of TP0037 From Treponema Pallidum, A D-Lactate Dehydrogenase:
1.1.1.28;

The structure of Crystal Structure of TP0037 From Treponema Pallidum, A D-Lactate Dehydrogenase, PDB code: 7jp2 was solved by C.A.Brautigam, R.K.Deka, M.V.Norgard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.08 / 1.38
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.660, 94.687, 101.455, 90.00, 90.00, 90.00
R / Rfree (%)	13.6 / 15.8

The binding sites of Chlorine atom in the Crystal Structure of TP0037 From Treponema Pallidum, A D-Lactate Dehydrogenase (pdb code 7jp2). 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 TP0037 From Treponema Pallidum, A D-Lactate Dehydrogenase, PDB code: 7jp2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of TP0037 From Treponema Pallidum, A D-Lactate Dehydrogenase


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 TP0037 From Treponema Pallidum, A D-Lactate Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:13.2 occ:1.00 H B:GLU143 2.2 7.4 0.4 H B:GLU143 2.2 7.4 0.6 H A:THR303 2.5 7.8 1.0 HB2 A:GLU302 2.9 10.8 1.0 OG1 A:THR303 2.9 12.0 1.0 HG3 B:GLU143 2.9 8.7 1.0 HA B:LYS142 2.9 8.2 0.6 O A:HOH543 2.9 16.1 1.0 HA B:LYS142 2.9 8.3 0.4 HG B:CYS146 3.0 15.6 1.0 N B:GLU143 3.1 6.2 1.0 HG1 A:THR303 3.1 14.4 1.0 HB2 B:GLU143 3.2 8.8 1.0 N A:THR303 3.3 6.5 1.0 HB A:THR301 3.3 7.9 1.0 H A:GLU302 3.4 7.5 1.0 HB2 B:CYS146 3.5 12.7 1.0 HG3 B:LYS142 3.6 13.0 0.6 CG B:GLU143 3.6 7.2 1.0 HG3 B:LYS142 3.6 10.8 0.4 HB A:THR303 3.6 10.5 1.0 CB B:GLU143 3.7 7.4 1.0 CB A:THR303 3.7 8.8 1.0 SG B:CYS146 3.7 13.0 1.0 CA B:LYS142 3.8 6.9 0.4 CA B:LYS142 3.8 6.8 0.6 CB A:GLU302 3.8 9.0 1.0 N A:GLU302 3.8 6.2 1.0 C B:LYS142 3.9 6.3 0.6 C B:LYS142 3.9 6.4 0.4 CA B:GLU143 4.0 6.6 1.0 CB B:CYS146 4.1 10.6 1.0 CD B:GLU143 4.1 7.0 1.0 CA A:THR303 4.1 7.2 1.0 HG1 A:THR301 4.1 8.9 1.0 HG2 B:LYS142 4.1 10.8 0.4 CA A:GLU302 4.1 6.9 1.0 C A:GLU302 4.1 6.2 1.0 CB A:THR301 4.1 6.6 1.0 OE2 B:GLU143 4.2 6.8 1.0 CG B:LYS142 4.2 9.0 0.4 OG1 A:THR301 4.2 7.4 1.0 O B:SER141 4.3 8.1 1.0 CG B:LYS142 4.3 10.8 0.6 HB3 B:CYS146 4.3 12.7 1.0 HB3 A:GLU302 4.3 10.8 1.0 HG2 B:LYS142 4.4 13.0 0.6 HG3 A:GLU302 4.4 13.1 1.0 HA A:THR303 4.5 8.6 1.0 HG2 B:GLU143 4.5 8.7 1.0 OE1 A:GLU302 4.5 19.5 1.0 CB B:LYS142 4.5 7.7 0.4 CB B:LYS142 4.5 8.2 0.6 CG A:GLU302 4.6 10.9 1.0 C A:THR301 4.6 6.2 1.0 HB3 B:GLU143 4.6 8.8 1.0 O B:GLU143 4.7 7.4 1.0 HA B:GLU143 4.7 7.9 1.0 HZ2 B:LYS142 4.7 22.8 0.6 HB2 B:LYS142 4.8 9.3 0.4 HB2 B:LYS142 4.8 9.8 0.6 N B:LYS142 4.8 7.1 0.6 C B:GLU143 4.8 6.9 1.0 N B:LYS142 4.8 7.0 0.4 OE1 B:GLU143 4.9 8.0 1.0 CD A:GLU302 4.9 17.5 1.0 CA A:THR301 5.0 5.7 1.0 C B:SER141 5.0 6.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of TP0037 From Treponema Pallidum, A D-Lactate Dehydrogenase


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 TP0037 From Treponema Pallidum, A D-Lactate Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:14.1 occ:1.00 H A:GLU143 2.2 7.6 1.0 H B:THR303 2.5 8.3 1.0 HB2 B:GLU302 2.8 8.3 0.5 OG1 B:THR303 2.9 11.7 1.0 HA A:LYS142 2.9 8.5 0.5 HG3 A:GLU143 2.9 8.5 1.0 HA A:LYS142 2.9 7.7 0.5 O B:HOH560 3.0 16.5 1.0 HG A:CYS146 3.0 15.3 1.0 N A:GLU143 3.0 6.3 1.0 HG1 B:THR303 3.1 14.0 1.0 HB2 B:GLU302 3.1 11.3 0.5 HB2 A:GLU143 3.2 8.8 1.0 HB B:THR301 3.3 8.5 1.0 N B:THR303 3.3 6.9 1.0 H B:GLU302 3.4 8.0 0.5 H B:GLU302 3.4 7.3 0.5 HB2 A:CYS146 3.6 12.5 1.0 HG3 A:LYS142 3.6 12.7 0.5 CG A:GLU143 3.6 7.1 1.0 HG3 A:LYS142 3.6 14.9 0.5 HB B:THR303 3.7 10.7 1.0 CB B:GLU302 3.7 6.9 0.5 CA A:LYS142 3.7 7.1 0.5 CB A:GLU143 3.7 7.4 1.0 CB B:THR303 3.7 8.9 1.0 CA A:LYS142 3.7 6.4 0.5 SG A:CYS146 3.8 12.8 1.0 N B:GLU302 3.8 6.1 0.5 N B:GLU302 3.8 6.6 0.5 C A:LYS142 3.9 6.6 0.5 C A:LYS142 3.9 6.5 0.5 CA A:GLU143 4.0 6.0 1.0 CB B:GLU302 4.0 9.4 0.5 O B:HOH641 4.0 29.8 1.0 HG1 B:THR301 4.1 8.7 1.0 CD A:GLU143 4.1 7.1 1.0 CA B:THR303 4.1 7.7 1.0 CA B:GLU302 4.1 6.4 0.5 HG2 A:LYS142 4.1 14.9 0.5 C B:GLU302 4.1 6.6 0.5 CB B:THR301 4.1 7.0 1.0 CB A:CYS146 4.1 10.4 1.0 C B:GLU302 4.2 7.3 0.5 CA B:GLU302 4.2 7.7 0.5 OE2 A:GLU143 4.2 6.8 1.0 CG A:LYS142 4.2 12.4 0.5 HG3 B:GLU302 4.2 10.1 0.5 OG1 B:THR301 4.2 7.2 1.0 O A:SER141 4.2 7.7 1.0 HB3 B:GLU302 4.3 8.3 0.5 CG A:LYS142 4.3 10.6 0.5 HG2 A:LYS142 4.4 12.7 0.5 HB3 A:CYS146 4.4 12.5 1.0 CG B:GLU302 4.4 8.4 0.5 HG2 A:GLU143 4.4 8.5 1.0 HA B:THR303 4.5 9.2 1.0 CB A:LYS142 4.5 9.6 0.5 OE1 B:GLU302 4.5 13.2 0.5 HB3 B:GLU302 4.5 11.3 0.5 CB A:LYS142 4.5 7.9 0.5 C B:THR301 4.6 6.5 1.0 HB3 A:GLU143 4.7 8.8 1.0 HA A:GLU143 4.7 7.2 1.0 O A:GLU143 4.7 6.9 1.0 HZ1 A:LYS142 4.8 22.1 0.5 HB2 A:LYS142 4.8 11.5 0.5 N A:LYS142 4.8 6.6 0.5 N A:LYS142 4.8 6.2 0.5 HB2 A:LYS142 4.8 9.5 0.5 CD B:GLU302 4.8 12.3 0.5 C A:GLU143 4.9 6.4 1.0 OE1 A:GLU143 4.9 8.1 1.0 HG3 B:GLU302 4.9 13.4 0.5 CG B:GLU302 4.9 11.2 0.5 CA B:THR301 4.9 6.3 1.0 C A:SER141 4.9 6.1 1.0 HG21 B:THR301 5.0 8.0 1.0 HG2 B:GLU302 5.0 13.4 0.5

R.K.Deka, W.Z.Liu, M.V.Norgard, C.A.Brautigam. Biophysical and Biochemical Characterization of TP0037, A D-Lactate Dehydrogenase, Supports An Acetogenic Energy Conservation Pathway in Treponema Pallidum. Mbio V. 11 2020.
ISSN: ESSN 2150-7511
PubMed: 32963009
DOI: 10.1128/MBIO.02249-20