Chlorine in PDB 5u2p: The Crystal Structure of TP0737 From Treponema Pallidum

The structure of The Crystal Structure of TP0737 From Treponema Pallidum, PDB code: 5u2p was solved by C.A.Brautigam, R.K.Deka, D.R.Tomchick, M.V.Norgard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.54 / 1.76
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	55.925, 55.925, 237.632, 90.00, 90.00, 120.00
R / Rfree (%)	18.1 / 22.2

The structure of The Crystal Structure of TP0737 From Treponema Pallidum also contains other interesting chemical elements:

Bromine

(Br)

1 atom

The binding sites of Chlorine atom in the The Crystal Structure of TP0737 From Treponema Pallidum (pdb code 5u2p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of TP0737 From Treponema Pallidum, PDB code: 5u2p:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Crystal Structure of TP0737 From Treponema Pallidum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of TP0737 From Treponema Pallidum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:40.1 occ:1.00 H A:ARG260 2.5 24.5 1.0 HB3 A:ARG258 2.8 39.4 1.0 HB A:VAL259 3.1 27.1 1.0 O A:HOH775 3.1 39.5 1.0 HE A:ARG258 3.1 86.8 1.0 HB2 A:ARG260 3.2 42.2 1.0 H A:VAL259 3.2 29.6 1.0 N A:ARG260 3.3 20.4 1.0 HB3 A:ARG260 3.5 42.2 1.0 N A:VAL259 3.6 24.7 1.0 HH21 A:ARG258 3.6 83.8 1.0 CB A:ARG260 3.7 35.2 1.0 CB A:ARG258 3.8 32.8 1.0 CB A:VAL259 3.9 22.5 1.0 NE A:ARG258 4.0 72.4 1.0 CA A:VAL259 4.1 21.3 1.0 CA A:ARG260 4.1 22.0 1.0 C A:VAL259 4.1 22.6 1.0 HB2 A:ARG258 4.2 39.4 1.0 HG2 A:ARG258 4.3 42.0 1.0 C A:ARG258 4.3 27.0 1.0 NH2 A:ARG258 4.4 69.8 1.0 HA A:ARG260 4.5 26.4 1.0 CA A:ARG258 4.5 24.0 1.0 CG A:ARG258 4.5 35.0 1.0 HG12 A:VAL259 4.5 33.7 1.0 HA A:ARG258 4.6 28.8 1.0 CZ A:ARG258 4.6 78.1 1.0 HG23 A:VAL259 4.7 32.4 1.0 HE A:ARG260 4.7 66.5 1.0 CG1 A:VAL259 4.8 28.1 1.0 CD A:ARG258 4.9 48.5 1.0 CG2 A:VAL259 4.9 27.0 1.0 H A:GLU261 5.0 23.7 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of TP0737 From Treponema Pallidum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of TP0737 From Treponema Pallidum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:36.5 occ:1.00 H A:ASP115 2.5 31.4 1.0 HA A:VAL114 3.0 29.3 1.0 HE3 A:LYS321 3.2 60.4 1.0 O A:HOH669 3.2 31.7 1.0 N A:ASP115 3.3 26.2 1.0 HB3 A:ASP115 3.5 36.4 1.0 HG13 A:VAL114 3.6 38.4 1.0 CA A:VAL114 3.9 24.4 1.0 HB2 A:ASP115 3.9 36.4 1.0 HZ1 A:LYS321 4.0 67.0 1.0 CB A:ASP115 4.0 30.4 1.0 CE A:LYS321 4.0 50.4 1.0 O A:PHE113 4.1 28.8 1.0 C A:VAL114 4.1 23.2 1.0 HG3 A:LYS321 4.1 61.9 1.0 HD2 A:LYS321 4.3 54.6 1.0 CA A:ASP115 4.3 22.5 1.0 CG1 A:VAL114 4.3 32.0 1.0 NZ A:LYS321 4.4 55.9 1.0 HZ3 A:LYS321 4.4 67.0 1.0 HG22 A:VAL114 4.4 34.4 1.0 HG12 A:VAL114 4.5 38.4 1.0 CD A:LYS321 4.6 45.5 1.0 CB A:VAL114 4.6 28.3 1.0 HE1 A:PHE137 4.7 29.9 1.0 HE2 A:LYS321 4.7 60.4 1.0 N A:VAL114 4.8 24.9 1.0 CG A:LYS321 4.9 51.5 1.0 C A:PHE113 4.9 25.2 1.0 HA A:ASP115 5.0 27.0 1.0

C.A.Brautigam, R.K.Deka, W.Z.Liu, D.R.Tomchick, M.V.Norgard. Functional Clues From the Crystal Structure of An Orphan Periplasmic Ligand-Binding Protein From Treponema Pallidum. Protein Sci. V. 26 847 2017.
ISSN: ESSN 1469-896X
PubMed: 28168761
DOI: 10.1002/PRO.3133