Chlorine in PDB 3ggp: Crystal Structure of Prephenate Dehydrogenase From A. Aeolicus in Complex with Hydroxyphenyl Propionate and Nad+

The structure of Crystal Structure of Prephenate Dehydrogenase From A. Aeolicus in Complex with Hydroxyphenyl Propionate and Nad+, PDB code: 3ggp was solved by W.Sun, D.Shahinas, M.S.Kimber, D.Christendat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.45 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	82.061, 92.361, 163.830, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 24.8

The binding sites of Chlorine atom in the Crystal Structure of Prephenate Dehydrogenase From A. Aeolicus in Complex with Hydroxyphenyl Propionate and Nad+ (pdb code 3ggp). 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 Prephenate Dehydrogenase From A. Aeolicus in Complex with Hydroxyphenyl Propionate and Nad+, PDB code: 3ggp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Prephenate Dehydrogenase From A. Aeolicus in Complex with Hydroxyphenyl Propionate and Nad+


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 Prephenate Dehydrogenase From A. Aeolicus in Complex with Hydroxyphenyl Propionate and Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl313 b:42.2 occ:1.00 O C:HOH1009 3.1 44.9 1.0 N A:GLY242 3.1 54.0 1.0 NZ C:LYS169 3.3 56.0 1.0 N A:PRO241 3.6 55.0 1.0 CA A:GLY242 3.7 53.0 1.0 CA A:TYR240 3.7 52.3 1.0 CG2 C:ILE149 3.7 50.5 1.0 CD A:PRO241 3.7 54.4 1.0 C A:TYR240 3.7 53.5 1.0 CD C:LYS169 3.8 53.8 1.0 O A:LYS239 4.1 52.0 1.0 CE C:LYS169 4.1 53.8 1.0 C A:PRO241 4.2 55.4 1.0 CG C:LYS169 4.3 51.9 1.0 CB C:ILE149 4.3 51.8 1.0 CG A:PRO241 4.4 54.8 1.0 CA A:PRO241 4.5 54.9 1.0 O A:TYR240 4.5 54.9 1.0 CB A:TYR240 4.5 51.6 1.0 CB C:LYS169 4.6 53.1 1.0 C A:GLY242 4.7 54.3 1.0 N A:TYR240 4.7 51.5 1.0 CD2 A:TYR240 4.7 50.0 1.0 O C:ILE149 4.8 52.5 1.0 O C:HOH1076 4.8 66.9 1.0 C A:LYS239 4.8 52.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Prephenate Dehydrogenase From A. Aeolicus in Complex with Hydroxyphenyl Propionate and Nad+


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 Prephenate Dehydrogenase From A. Aeolicus in Complex with Hydroxyphenyl Propionate and Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl314 b:43.4 occ:1.00 O B:HOH1420 2.9 46.0 1.0 N D:GLY242 3.2 46.9 1.0 NZ B:LYS169 3.3 51.3 1.0 CA D:GLY242 3.7 47.0 1.0 CG2 B:ILE149 3.7 50.9 1.0 CD D:PRO241 3.7 49.1 1.0 N D:PRO241 3.8 47.4 1.0 CA D:TYR240 3.9 48.0 1.0 C D:TYR240 3.9 47.6 1.0 CD B:LYS169 3.9 54.5 1.0 CG B:LYS169 4.2 52.1 1.0 CE B:LYS169 4.2 54.1 1.0 CB B:ILE149 4.3 50.6 1.0 O D:LYS239 4.3 47.6 1.0 C D:PRO241 4.3 48.6 1.0 CG D:PRO241 4.4 47.1 1.0 CB B:LYS169 4.5 52.8 1.0 CB D:TYR240 4.5 48.6 1.0 CA D:PRO241 4.6 47.3 1.0 O D:TYR240 4.6 50.0 1.0 C D:GLY242 4.7 48.4 1.0 CD2 D:TYR240 4.7 44.5 1.0 O B:ILE149 4.8 51.2 1.0 N D:TYR240 5.0 47.6 1.0

W.Sun, D.Shahinas, J.Bonvin, W.Hou, M.S.Kimber, J.Turnbull, D.Christendat. The Crystal Structure of Aquifex Aeolicus Prephenate Dehydrogenase Reveals the Mode of Tyrosine Inhibition. J.Biol.Chem. V. 284 13223 2009.
ISSN: ISSN 0021-9258
PubMed: 19279014
DOI: 10.1074/JBC.M806272200