Chlorine in PDB 4fai: Crystal Structure of Mitochondrial Isoform of Glutaminyl Cyclase From Drosophila Melanogaster

All present enzymatic activity of Crystal Structure of Mitochondrial Isoform of Glutaminyl Cyclase From Drosophila Melanogaster:
2.3.2.5;

The structure of Crystal Structure of Mitochondrial Isoform of Glutaminyl Cyclase From Drosophila Melanogaster, PDB code: 4fai was solved by P.Kolenko, B.Koch, D.Ruiz-Carilo, M.T.Stubbs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.97 / 1.65
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	46.443, 47.734, 74.556, 85.03, 74.89, 73.90
R / Rfree (%)	17 / 20.2

The structure of Crystal Structure of Mitochondrial Isoform of Glutaminyl Cyclase From Drosophila Melanogaster also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Mitochondrial Isoform of Glutaminyl Cyclase From Drosophila Melanogaster (pdb code 4fai). 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 Mitochondrial Isoform of Glutaminyl Cyclase From Drosophila Melanogaster, PDB code: 4fai:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Mitochondrial Isoform of Glutaminyl Cyclase From Drosophila Melanogaster


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 Mitochondrial Isoform of Glutaminyl Cyclase From Drosophila Melanogaster within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:24.7 occ:1.00 O A:HOH645 3.1 25.8 1.0 N A:ASN81 3.1 13.9 1.0 CG A:ASN81 3.5 15.1 1.0 OD1 A:ASN81 3.6 16.2 1.0 N A:THR80 3.6 16.0 1.0 CB A:THR80 3.6 17.0 1.0 CB A:ASN81 3.7 14.7 1.0 ND2 A:ASN81 3.8 15.9 1.0 CA A:THR80 3.9 15.6 1.0 CB A:THR79 3.9 15.7 1.0 C A:THR80 3.9 15.2 1.0 CA A:ASN81 4.0 14.1 1.0 OG1 A:THR79 4.3 15.9 1.0 C A:THR79 4.4 16.5 1.0 OG1 A:THR80 4.4 19.1 1.0 O A:HOH549 4.4 22.5 1.0 CG2 A:THR80 4.7 17.7 1.0 CA A:THR79 4.7 16.5 1.0 CG2 A:THR79 4.8 15.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Mitochondrial Isoform of Glutaminyl Cyclase From Drosophila Melanogaster


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 Mitochondrial Isoform of Glutaminyl Cyclase From Drosophila Melanogaster within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:39.2 occ:1.00 O B:HOH614 2.8 30.3 1.0 N B:MET143 2.9 19.8 1.0 O B:MET143 3.0 19.4 1.0 O B:VAL146 3.1 24.4 1.0 C B:MET143 3.5 22.6 1.0 O B:HOH646 3.6 28.5 1.0 CA B:MET143 3.6 21.9 1.0 C B:TYR142 3.9 18.9 1.0 CA B:TYR142 3.9 19.9 1.0 CD1 B:TYR142 4.0 27.2 1.0 CB B:MET143 4.1 23.8 1.0 O B:HOH507 4.1 15.8 1.0 CG2 B:VAL76 4.2 15.7 1.0 O B:LYS141 4.2 17.1 1.0 C B:VAL146 4.3 24.0 1.0 N B:PRO144 4.4 23.1 1.0 O B:HOH660 4.6 30.1 1.0 CE1 B:TYR142 4.6 28.9 1.0 N B:PHE148 4.7 20.6 1.0 CG B:TYR142 4.8 23.7 1.0 CB B:TYR142 4.9 22.6 1.0 N B:TYR142 4.9 18.5 1.0 CA B:PRO144 4.9 25.0 1.0 C B:LYS141 5.0 17.3 1.0 N B:VAL146 5.0 23.0 1.0

B.Koch, P.Kolenko, M.Buchholz, D.Ruiz Carrillo, C.Parthier, M.Wermann, J.U.Rahfeld, G.Reuter, S.Schilling, M.T.Stubbs, H.U.Demuth. Crystal Structures of Glutaminyl Cyclases (Qcs) From Drosophila Melanogaster Reveal Active Site Conservation Between Insect and Mammalian Qcs. Biochemistry V. 51 7383 2012.
ISSN: ISSN 0006-2960
PubMed: 22897232
DOI: 10.1021/BI300687G