Chlorine in PDB 2xci: Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form

The structure of Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form, PDB code: 2xci was solved by H.Schmidt, G.Hansen, R.Hilgenfeld, U.Mamat, J.R.Mesters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.85 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	132.500, 45.820, 144.070, 90.00, 97.23, 90.00
R / Rfree (%)	20.7 / 25.4

The structure of Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form also contains other interesting chemical elements:

Nickel

(Ni)

4 atoms

The binding sites of Chlorine atom in the Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form (pdb code 2xci). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form, PDB code: 2xci:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1359 b:84.2 occ:1.00 O A:PHE9 3.9 39.2 1.0 CB A:PHE80 4.1 34.5 1.0 O A:PHE80 4.1 36.2 1.0 C A:PHE80 4.2 33.4 1.0 CD1 A:PHE10 4.3 52.5 1.0 N A:SER81 4.3 33.5 1.0 CD A:ARG84 4.5 49.2 1.0 CA A:SER81 4.5 31.5 1.0 OG A:SER81 4.5 29.5 1.0 CB A:ARG84 4.7 37.9 1.0 CA A:PHE80 4.8 26.2 1.0 CE1 A:PHE10 4.8 56.8 1.0

Chlorine binding site 2 out of 8 in the Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1360 b:86.6 occ:1.00 CG A:LYS83 4.5 35.1 1.0 N A:ARG84 4.7 31.1 1.0 CD1 A:PHE80 4.7 51.4 1.0 O A:PHE80 4.7 36.2 1.0 CA A:ARG84 4.8 32.7 1.0 CB A:ARG84 4.8 37.9 1.0 CB A:LYS83 5.0 33.4 1.0

Chlorine binding site 3 out of 8 in the Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form within 5.0Å range:

Chlorine binding site 4 out of 8 in the Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1355 b:51.0 occ:1.00 CG D:PRO79 3.8 34.1 1.0 CG B:PRO79 3.9 39.8 1.0 CD D:PRO79 4.1 31.2 1.0 CE2 B:PHE80 4.1 49.5 1.0 CD B:PRO79 4.1 39.4 1.0 CE2 D:PHE80 4.1 46.3 1.0 CD2 B:PHE80 4.2 44.8 1.0 CD2 D:PHE80 4.2 39.5 1.0 CB D:PRO79 4.3 29.4 1.0 CB B:PRO79 4.4 29.6 1.0

Chlorine binding site 5 out of 8 in the Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form within 5.0Å range:

Chlorine binding site 6 out of 8 in the Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1358 b:93.1 occ:1.00 CD1 C:ILE107 4.5 38.1 1.0 CG2 C:ILE107 5.0 38.9 1.0

Chlorine binding site 7 out of 8 in the Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1357 b:80.6 occ:1.00 O D:PHE9 3.7 31.0 1.0 CB D:PHE80 4.0 30.0 1.0 O D:PHE80 4.0 30.8 1.0 C D:PHE80 4.0 34.0 1.0 N D:SER81 4.2 28.6 1.0 OG D:SER81 4.2 26.6 1.0 CD1 D:PHE10 4.3 55.9 1.0 CA D:SER81 4.3 29.4 1.0 CA D:PHE80 4.7 30.2 1.0 CD D:ARG84 4.7 39.6 1.0 C D:PHE9 4.8 31.8 1.0 CB D:ARG84 4.9 29.9 1.0 CE1 D:PHE10 4.9 58.8 1.0 CB D:SER81 4.9 28.1 1.0 CA D:PHE10 4.9 38.3 1.0

Chlorine binding site 8 out of 8 in the Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Membrane-Embedded Monofunctional Glycosyltransferase Waaa of Aquifex Aeolicus, Substrate-Free Form within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1359 b:74.3 occ:1.00 CE1 D:PHE80 4.8 47.6 1.0

H.Schmidt, G.Hansen, S.Singh, A.Hanuszkiewicz, B.Lindner, K.Fukase, R.W.Woodard, O.Holst, R.Hilgenfeld, U.Mamat, J.R.Mesters. Structural and Mechanistic Analysis of the Membrane-Embedded Glycosyltransferase Waaa Required For Lipopolysaccharide Synthesis. Proc.Natl.Acad.Sci.Usa V. 109 6253 2012.
ISSN: ISSN 0027-8424
PubMed: 22474366
DOI: 10.1073/PNAS.1119894109