Chlorine in PDB 2g9z: Thiamin Pyrophosphokinase From Candida Albicans

All present enzymatic activity of Thiamin Pyrophosphokinase From Candida Albicans:
2.7.6.2;

The structure of Thiamin Pyrophosphokinase From Candida Albicans, PDB code: 2g9z was solved by C.Abergel, S.Santini, V.Monchois, T.Rousselle, J.M.Claverie, Bacterialtargets At Igs-Cnrs, France (Bigs), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.44 / 1.96
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	50.825, 60.331, 63.722, 66.14, 89.94, 65.07
R / Rfree (%)	18.7 / 23.6

The structure of Thiamin Pyrophosphokinase From Candida Albicans also contains other interesting chemical elements:

Magnesium

(Mg)

6 atoms

The binding sites of Chlorine atom in the Thiamin Pyrophosphokinase From Candida Albicans (pdb code 2g9z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Thiamin Pyrophosphokinase From Candida Albicans, PDB code: 2g9z:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Thiamin Pyrophosphokinase From Candida Albicans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Thiamin Pyrophosphokinase From Candida Albicans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl705 b:31.3 occ:1.00 NE A:ARG250 3.2 19.0 1.0 O A:HOH968 3.3 36.8 1.0 N A:ARG250 3.4 24.9 1.0 NH2 A:ARG250 3.6 18.9 1.0 CB A:ARG250 3.8 23.8 1.0 O A:GLU307 3.8 20.5 1.0 CB A:ASN249 3.8 28.2 1.0 CB A:GLU307 3.9 21.7 1.0 CZ A:ARG250 3.9 18.2 1.0 CA A:GLU307 4.0 20.0 1.0 CG A:ARG250 4.1 21.8 1.0 CA A:ARG250 4.1 25.0 1.0 CG A:GLU307 4.2 19.3 1.0 CD A:ARG250 4.2 20.4 1.0 OE2 A:GLU307 4.3 20.1 1.0 CA A:ASN249 4.3 27.3 1.0 C A:ASN249 4.3 25.7 1.0 C A:GLU307 4.3 19.4 1.0 CD A:GLU307 4.4 21.0 1.0 N A:LEU251 4.5 25.9 1.0 C A:ARG250 4.8 25.9 1.0 CG A:ASN249 4.8 28.0 1.0 CG A:LEU251 4.9 32.4 1.0

Chlorine binding site 2 out of 2 in the Thiamin Pyrophosphokinase From Candida Albicans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Thiamin Pyrophosphokinase From Candida Albicans within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl706 b:28.3 occ:1.00 NE B:ARG250 3.2 18.1 1.0 O B:HOH854 3.3 36.6 1.0 N B:ARG250 3.4 24.7 1.0 NH2 B:ARG250 3.6 17.6 1.0 CB B:ARG250 3.8 23.9 1.0 O B:GLU307 3.8 20.9 1.0 CB B:GLU307 3.9 21.4 1.0 CB B:ASN249 3.9 29.3 1.0 CZ B:ARG250 3.9 19.1 1.0 CA B:GLU307 4.0 20.0 1.0 CG B:ARG250 4.1 22.2 1.0 CG B:GLU307 4.1 21.4 1.0 CA B:ARG250 4.2 24.8 1.0 OE2 B:GLU307 4.2 19.4 1.0 CD B:ARG250 4.2 20.5 1.0 CA B:ASN249 4.3 26.9 1.0 C B:ASN249 4.3 25.2 1.0 C B:GLU307 4.4 19.4 1.0 CD B:GLU307 4.4 23.2 1.0 N B:LEU251 4.5 26.9 1.0 C B:ARG250 4.8 26.1 1.0 CG B:ASN249 4.9 30.5 1.0

S.Santini, V.Monchois, N.Mouz, C.Sigoillot, T.Rousselle, J.M.Claverie, C.Abergel. Structural Characterization of CA1462, the Candida Albicans Thiamine Pyrophosphokinase. Bmc Struct.Biol. V. 8 33 2008.
ISSN: ESSN 1472-6807
PubMed: 18652651
DOI: 10.1186/1472-6807-8-33