Chlorine in PDB 1rya: Crystal Structure of the E. Coli Gdp-Mannose Mannosyl Hydrolase in Complex with Gdp and Mg

The structure of Crystal Structure of the E. Coli Gdp-Mannose Mannosyl Hydrolase in Complex with Gdp and Mg, PDB code: 1rya was solved by S.B.Gabelli, M.A.Bianchet, P.M.Legler, A.S.Mildvan, L.M.Amzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.25 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.069, 81.363, 98.974, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 19.1

The structure of Crystal Structure of the E. Coli Gdp-Mannose Mannosyl Hydrolase in Complex with Gdp and Mg also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the E. Coli Gdp-Mannose Mannosyl Hydrolase in Complex with Gdp and Mg (pdb code 1rya). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the E. Coli Gdp-Mannose Mannosyl Hydrolase in Complex with Gdp and Mg, PDB code: 1rya:

Chlorine binding site 1 out of 1 in the Crystal Structure of the E. Coli Gdp-Mannose Mannosyl Hydrolase in Complex with Gdp and Mg


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 the E. Coli Gdp-Mannose Mannosyl Hydrolase in Complex with Gdp and Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1003 b:11.2 occ:1.00 OG B:SER28 3.1 10.2 1.0 N B:GLU114 3.3 10.1 1.0 N B:SER28 3.4 8.5 1.0 CB B:SER28 3.6 9.3 1.0 CA B:SER113 3.7 10.0 1.0 CB B:ASN27 3.8 7.7 1.0 CG B:GLU114 3.9 12.9 1.0 O B:HOH1206 4.0 35.7 1.0 C B:SER113 4.0 9.7 1.0 O B:VAL112 4.1 9.2 1.0 CB B:GLU114 4.1 12.1 1.0 CA B:SER28 4.1 9.2 1.0 O B:HOH1047 4.3 12.8 1.0 CA B:GLU114 4.3 10.6 1.0 CA B:ASN27 4.3 8.3 1.0 C B:ASN27 4.3 8.8 1.0 O B:HOH1152 4.5 28.1 1.0 CB B:SER113 4.5 10.5 1.0 CG B:ASN27 4.6 8.7 1.0 OE2 B:GLU114 4.6 14.2 1.0 CD B:GLU114 4.7 15.4 1.0 N B:SER113 4.8 8.7 1.0 OG B:SER113 4.8 15.3 1.0 C B:VAL112 4.8 8.5 1.0 ND2 B:ASN27 5.0 9.1 1.0

S.B.Gabelli, M.A.Bianchet, H.F.Azurmendi, Z.Xia, V.Sarawat, A.S.Mildvan, L.M.Amzel. Structure and Mechanism of Gdp-Mannose Glycosyl Hydrolase, A Nudix Enzyme That Cleaves at Carbon Instead of Phosphorus. Structure V. 12 927 2004.
ISSN: ISSN 0969-2126
PubMed: 15274914
DOI: 10.1016/J.STR.2004.03.028