Chlorine in PDB 5uxc: Crystal Structure of Macrolide 2'-Phosphotransferase Mphh From Brachybacterium Faecium in Complex with Gdp

The structure of Crystal Structure of Macrolide 2'-Phosphotransferase Mphh From Brachybacterium Faecium in Complex with Gdp, PDB code: 5uxc was solved by P.J.Stogios, T.Skarina, Z.Wawrzak, V.Yim, A.Savchenko, W.F.Anderson, Centerfor Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.24 / 1.72
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.556, 77.002, 94.409, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 20.7

The structure of Crystal Structure of Macrolide 2'-Phosphotransferase Mphh From Brachybacterium Faecium in Complex with Gdp also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Macrolide 2'-Phosphotransferase Mphh From Brachybacterium Faecium in Complex with Gdp (pdb code 5uxc). 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 Macrolide 2'-Phosphotransferase Mphh From Brachybacterium Faecium in Complex with Gdp, PDB code: 5uxc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Macrolide 2'-Phosphotransferase Mphh From Brachybacterium Faecium in Complex with Gdp


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 Macrolide 2'-Phosphotransferase Mphh From Brachybacterium Faecium in Complex with Gdp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl309 b:73.7 occ:1.00 O A:HOH745 2.9 65.0 1.0 O A:HOH690 3.4 34.5 1.0 NE A:ARG52 3.6 45.2 1.0 NE A:ARG34 4.0 39.3 1.0 CG A:ARG52 4.2 39.8 1.0 CD A:ARG52 4.3 36.8 1.0 CD A:ARG34 4.3 34.5 1.0 NH2 A:ARG52 4.5 52.2 1.0 CB A:ARG34 4.5 31.6 1.0 CZ A:ARG52 4.5 48.1 1.0 CB A:ARG52 4.5 38.4 1.0 CZ A:ARG34 4.6 43.5 1.0 NH2 A:ARG34 4.9 35.8 1.0 CA A:ARG52 5.0 39.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Macrolide 2'-Phosphotransferase Mphh From Brachybacterium Faecium in Complex with Gdp


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 Macrolide 2'-Phosphotransferase Mphh From Brachybacterium Faecium in Complex with Gdp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl310 b:27.1 occ:1.00 N A:ASP222 3.4 10.3 1.0 O3 A:GOL312 3.4 73.8 1.0 NZ A:LYS225 3.4 22.6 1.0 O A:HOH545 3.4 22.3 1.0 C3 A:GOL312 3.7 65.7 1.0 CA A:GLY221 3.9 12.6 1.0 O A:HOH427 3.9 44.0 1.0 CB A:ASP222 3.9 9.3 1.0 CE A:LYS225 4.0 25.8 1.0 CG2 A:VAL151 4.0 12.9 1.0 O A:HOH535 4.0 21.1 1.0 CD A:LYS225 4.1 27.1 1.0 C A:GLY221 4.1 12.0 1.0 CG1 A:VAL151 4.2 18.8 1.0 O A:HOH696 4.2 41.7 1.0 CA A:ASP222 4.3 8.9 1.0 CB A:VAL151 4.6 10.9 1.0 CD A:ARG146 4.8 29.1 1.0 O A:HOH806 4.8 35.7 1.0

A.C.Pawlowski, P.J.Stogios, K.Koteva, T.Skarina, E.Evdokimova, A.Savchenko, G.D.Wright. The Evolution of Substrate Discrimination in Macrolide Antibiotic Resistance Enzymes. Nat Commun V. 9 112 2018.
ISSN: ESSN 2041-1723
PubMed: 29317655
DOI: 10.1038/S41467-017-02680-0