Chlorine in PDB 4brm: Sulfur Sad Phasing of the Legionella Pneumophila NTPDASE1 - Crystal Form III (Closed) in Complex with Sulfate

All present enzymatic activity of Sulfur Sad Phasing of the Legionella Pneumophila NTPDASE1 - Crystal Form III (Closed) in Complex with Sulfate:
3.6.1.5;

The structure of Sulfur Sad Phasing of the Legionella Pneumophila NTPDASE1 - Crystal Form III (Closed) in Complex with Sulfate, PDB code: 4brm was solved by M.Zebisch, P.Schaefer, P.Lauble, N.Straeter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.53 / 2.02
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	79.966, 84.314, 102.108, 90.00, 90.00, 90.00
R / Rfree (%)	16.105 / 21.639

The binding sites of Chlorine atom in the Sulfur Sad Phasing of the Legionella Pneumophila NTPDASE1 - Crystal Form III (Closed) in Complex with Sulfate (pdb code 4brm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Sulfur Sad Phasing of the Legionella Pneumophila NTPDASE1 - Crystal Form III (Closed) in Complex with Sulfate, PDB code: 4brm:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Sulfur Sad Phasing of the Legionella Pneumophila NTPDASE1 - Crystal Form III (Closed) in Complex with Sulfate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Sulfur Sad Phasing of the Legionella Pneumophila NTPDASE1 - Crystal Form III (Closed) in Complex with Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1398 b:27.4 occ:1.00 O B:HOH2040 3.0 17.6 1.0 ND2 A:ASN240 3.3 15.7 1.0 O A:HOH2137 3.4 28.7 1.0 NE B:ARG122 3.8 21.4 1.0 N A:ASP253 3.8 16.2 1.0 CA A:ASP253 3.8 17.4 1.0 CB A:ASP253 3.9 17.0 1.0 C A:PRO252 4.0 16.4 1.0 CD B:ARG122 4.0 19.8 1.0 CB B:LEU227 4.0 13.7 1.0 O A:PRO252 4.1 16.6 1.0 CD2 B:LEU227 4.1 14.5 1.0 CB A:PRO252 4.2 15.7 1.0 CG A:ASN240 4.2 15.7 1.0 OD1 A:ASN240 4.3 15.5 1.0 CG A:PRO252 4.6 14.8 1.0 CG B:LEU227 4.6 13.7 1.0 CZ B:ARG122 4.7 18.8 1.0 CA A:PRO252 4.7 15.6 1.0 O B:SER225 4.7 17.8 1.0 CD1 B:LEU227 4.9 13.7 1.0 NH2 B:ARG122 4.9 17.6 1.0 OG B:SER225 4.9 15.5 1.0 N B:GLY156 4.9 19.5 1.0 N B:LEU227 5.0 13.3 1.0 O3 B:SO41395 5.0 19.2 0.5 CB B:ARG122 5.0 17.5 1.0

Chlorine binding site 2 out of 2 in the Sulfur Sad Phasing of the Legionella Pneumophila NTPDASE1 - Crystal Form III (Closed) in Complex with Sulfate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Sulfur Sad Phasing of the Legionella Pneumophila NTPDASE1 - Crystal Form III (Closed) in Complex with Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1393 b:24.1 occ:0.50 OD1 B:ASP253 1.7 19.6 0.5 CG B:ASP253 2.5 20.8 0.5 NE A:ARG122 3.0 16.1 1.0 O A:HOH2063 3.0 16.7 1.0 OD2 B:ASP253 3.2 21.9 0.5 ND2 B:ASN240 3.2 15.9 1.0 CD A:ARG122 3.5 16.8 1.0 CB B:ASP253 3.6 20.7 0.5 CB B:PRO252 3.8 18.2 1.0 N B:ASP253 3.8 19.8 1.0 CG A:LEU227 3.9 14.5 1.0 C B:PRO252 3.9 19.6 1.0 CZ A:ARG122 4.0 16.2 1.0 CA B:ASP253 4.0 21.0 0.5 CA B:ASP253 4.1 20.9 0.5 N A:GLY156 4.1 14.4 1.0 CB B:ASP253 4.1 20.1 0.5 CG B:ASN240 4.1 15.7 1.0 CD1 A:LEU227 4.1 14.0 1.0 OD1 B:ASN240 4.2 15.8 1.0 O B:PRO252 4.2 20.2 1.0 NH2 A:ARG122 4.2 15.2 1.0 CD2 A:LEU227 4.3 13.4 1.0 CA A:GLY156 4.5 14.2 1.0 CA B:PRO252 4.5 18.1 1.0 CG A:ARG122 4.6 15.7 1.0 CB A:ARG122 4.6 15.5 1.0 CG B:PRO252 4.9 17.5 1.0 O2 A:SO41397 4.9 20.4 1.0 OG A:SER225 5.0 13.6 1.0

M.Zebisch, M.Krauss, P.Schaefer, P.Lauble, N.Straeter. Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure V. 21 1460 2013.
ISSN: ISSN 0969-2126
PubMed: 23830739
DOI: 10.1016/J.STR.2013.05.016