Chlorine in PDB 3o69: Structure of the E100A E.Coli Gdp-Mannose Hydrolase (Yffh) in Complex with Mg++

The structure of Structure of the E100A E.Coli Gdp-Mannose Hydrolase (Yffh) in Complex with Mg++, PDB code: 3o69 was solved by L.M.Amzel, S.B.Gabelli, A.N.Boto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.81 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.379, 69.260, 98.554, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 28

The structure of Structure of the E100A E.Coli Gdp-Mannose Hydrolase (Yffh) in Complex with Mg++ also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Sodium	(Na)	3 atoms

The binding sites of Chlorine atom in the Structure of the E100A E.Coli Gdp-Mannose Hydrolase (Yffh) in Complex with Mg++ (pdb code 3o69). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of the E100A E.Coli Gdp-Mannose Hydrolase (Yffh) in Complex with Mg++, PDB code: 3o69:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of the E100A E.Coli Gdp-Mannose Hydrolase (Yffh) in Complex with Mg++


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the E100A E.Coli Gdp-Mannose Hydrolase (Yffh) in Complex with Mg++ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl212 b:62.8 occ:1.00 O A:HOH250 4.3 27.6 1.0 OE1 A:GLU154 4.8 38.3 1.0

Chlorine binding site 2 out of 3 in the Structure of the E100A E.Coli Gdp-Mannose Hydrolase (Yffh) in Complex with Mg++


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the E100A E.Coli Gdp-Mannose Hydrolase (Yffh) in Complex with Mg++ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl214 b:62.2 occ:1.00 NE1 A:TRP71 3.4 21.0 1.0 O B:HOH309 3.5 30.6 1.0 O A:GLU76 3.8 26.6 1.0 CZ2 A:TRP71 4.0 21.3 1.0 CE2 A:TRP71 4.0 20.1 1.0 CG2 B:ILE5 4.1 21.8 1.0 CD1 A:TRP71 4.5 19.8 1.0 O B:ILE5 4.7 21.1 1.0

Chlorine binding site 3 out of 3 in the Structure of the E100A E.Coli Gdp-Mannose Hydrolase (Yffh) in Complex with Mg++


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the E100A E.Coli Gdp-Mannose Hydrolase (Yffh) in Complex with Mg++ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl210 b:67.1 occ:1.00 CE2 B:TRP71 3.7 21.0 1.0 CD2 B:TRP71 3.7 21.5 1.0 CZ2 B:TRP71 3.8 21.7 1.0 CE3 B:TRP71 3.8 22.5 1.0 CH2 B:TRP71 3.9 22.1 1.0 CZ3 B:TRP71 3.9 22.3 1.0 O B:TRP71 4.0 18.2 1.0 NE1 B:TRP71 4.3 20.9 1.0 CG B:TRP71 4.4 21.0 1.0 O B:HOH258 4.4 34.8 1.0 CG1 B:VAL72 4.4 15.8 1.0 CA B:VAL72 4.4 17.8 1.0 O A:HOH292 4.4 34.5 1.0 C B:TRP71 4.5 18.2 1.0 N B:VAL72 4.7 17.9 1.0 CD1 B:TRP71 4.7 21.7 1.0 O B:HOH240 4.7 30.1 1.0 CB B:VAL72 5.0 17.7 1.0

A.N.Boto, W.Xu, J.Jakoncic, A.Pannuri, T.Romeo, M.J.Bessman, S.B.Gabelli, L.M.Amzel. Structural Studies of the Nudix Gdp-Mannose Hydrolase From E. Coli Reveals A New Motif For Mannose Recognition. Proteins V. 79 2455 2011.
ISSN: ISSN 0887-3585
PubMed: 21638333
DOI: 10.1002/PROT.23069