Chlorine in PDB 3o3p: Crystal Structure of R. Xylanophilus Mpgs in Complex with Gdp-Mannose

All present enzymatic activity of Crystal Structure of R. Xylanophilus Mpgs in Complex with Gdp-Mannose:
2.4.1.217;

The structure of Crystal Structure of R. Xylanophilus Mpgs in Complex with Gdp-Mannose, PDB code: 3o3p was solved by S.Macedo-Ribeiro, P.J.B.Pereira, N.Empadinhas, M.S.Da Costa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.19 / 2.53
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	108.370, 108.370, 311.960, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 23.1

The structure of Crystal Structure of R. Xylanophilus Mpgs in Complex with Gdp-Mannose also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of R. Xylanophilus Mpgs in Complex with Gdp-Mannose (pdb code 3o3p). 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 R. Xylanophilus Mpgs in Complex with Gdp-Mannose, PDB code: 3o3p:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of R. Xylanophilus Mpgs in Complex with Gdp-Mannose


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 R. Xylanophilus Mpgs in Complex with Gdp-Mannose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl336 b:42.6 occ:1.00 NH1 A:ARG273 3.2 21.1 1.0 N A:LEU322 3.2 40.9 1.0 NH2 A:ARG273 3.5 29.1 1.0 O A:HOH358 3.6 40.3 1.0 CZ A:ARG273 3.8 28.6 1.0 CA A:GLU321 3.8 52.0 1.0 CB A:SER301 3.8 27.0 1.0 CG A:GLU321 3.9 59.1 1.0 C A:GLU321 4.0 50.8 1.0 CB A:LEU322 4.2 40.3 1.0 CA A:LEU322 4.2 40.2 1.0 CA A:SER301 4.2 33.9 1.0 N A:SER301 4.2 28.9 1.0 CB A:GLU321 4.3 53.3 1.0 O A:LEU322 4.7 49.4 1.0 OG A:SER301 4.7 34.0 1.0 O A:GLU320 4.7 54.4 1.0 C A:LEU322 4.8 38.4 1.0 CB A:LEU300 4.8 29.2 1.0 C A:LEU300 4.9 29.7 1.0 N A:GLU321 4.9 52.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of R. Xylanophilus Mpgs in Complex with Gdp-Mannose


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 R. Xylanophilus Mpgs in Complex with Gdp-Mannose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl337 b:30.4 occ:1.00 NH1 A:ARG277 3.1 19.0 1.0 O A:HOH344 3.2 26.0 1.0 NH2 A:ARG273 3.3 29.1 1.0 CD A:ARG277 3.4 33.5 1.0 NH2 A:ARG280 3.4 66.7 0.9 CZ A:ARG277 4.0 33.5 1.0 NE A:ARG277 4.1 38.2 1.0 CB A:ARG277 4.1 28.2 1.0 CD1 A:LEU300 4.2 30.8 1.0 CG A:ARG277 4.4 28.8 1.0 CZ A:ARG273 4.4 28.6 1.0 CA A:ARG277 4.5 21.3 1.0 CD2 A:LEU322 4.5 27.5 1.0 NE A:ARG273 4.6 28.8 1.0 CZ A:ARG280 4.7 65.5 0.9 N A:ARG277 5.0 22.7 1.0

N.Empadinhas, P.J.B.Pereira, L.Albuquerque, J.Costa, B.Sa-Moura, A.T.Marques, S.Macedo-Ribeiro, M.S.Da Costa. Functional and Structural Characterization of A Novel Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus Reveals Its Dual Substrate Specificity Mol.Microbiol. V. 79 76 2011.
ISSN: ISSN 0950-382X
PubMed: 21166895
DOI: 10.1111/J.1365-2958.2010.07432.X