Chlorine in PDB 4rgu: Crystal Structure of Putative Marr Family Transcriptional Regulator Hcar From Acinetobacter Sp. Adp Complexed with Ferulic Acid

The structure of Crystal Structure of Putative Marr Family Transcriptional Regulator Hcar From Acinetobacter Sp. Adp Complexed with Ferulic Acid, PDB code: 4rgu was solved by Y.Kim, G.Joachimiak, L.Bigelow, G.Cobb, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.51 / 1.89
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	63.668, 82.812, 63.165, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 20.6

The structure of Crystal Structure of Putative Marr Family Transcriptional Regulator Hcar From Acinetobacter Sp. Adp Complexed with Ferulic Acid also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Putative Marr Family Transcriptional Regulator Hcar From Acinetobacter Sp. Adp Complexed with Ferulic Acid (pdb code 4rgu). 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 Putative Marr Family Transcriptional Regulator Hcar From Acinetobacter Sp. Adp Complexed with Ferulic Acid, PDB code: 4rgu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Putative Marr Family Transcriptional Regulator Hcar From Acinetobacter Sp. Adp Complexed with Ferulic Acid


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 Putative Marr Family Transcriptional Regulator Hcar From Acinetobacter Sp. Adp Complexed with Ferulic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:46.1 occ:1.00 O A:HOH355 3.1 55.7 1.0 ND2 A:ASN139 3.4 26.0 1.0 NH2 A:ARG138 3.5 31.0 1.0 OD1 A:ASN139 3.9 31.1 1.0 N B:GLU12 3.9 82.1 1.0 CG A:ASN139 4.1 26.1 1.0 CB B:GLU12 4.3 72.6 1.0 CA B:GLU12 4.7 68.7 1.0 O B:GLU12 4.7 49.4 1.0 CA B:ARG11 4.7 97.3 1.0 CD1 A:PHE135 4.7 45.0 1.0 CZ A:ARG138 4.8 33.3 1.0 CG B:GLU12 4.8 84.3 1.0 C B:ARG11 4.8 92.9 1.0 CB A:PHE135 4.9 27.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Putative Marr Family Transcriptional Regulator Hcar From Acinetobacter Sp. Adp Complexed with Ferulic Acid


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 Putative Marr Family Transcriptional Regulator Hcar From Acinetobacter Sp. Adp Complexed with Ferulic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:53.0 occ:1.00 ND2 B:ASN139 3.3 28.1 1.0 NH2 B:ARG138 3.4 28.0 1.0 OD1 B:ASN139 3.9 30.9 1.0 N A:GLU12 4.0 74.0 1.0 CG B:ASN139 4.1 27.2 1.0 CB A:GLU12 4.4 68.8 1.0 CZ B:ARG138 4.7 32.0 1.0 CA A:ARG11 4.7 90.8 1.0 CD1 B:PHE135 4.7 44.4 1.0 CA A:GLU12 4.8 67.3 1.0 C A:ARG11 4.8 88.2 1.0 O A:GLU12 4.8 42.5 1.0 CB B:PHE135 4.9 28.3 1.0

Y.Kim, G.Joachimiak, L.Bigelow, G.Cobb, A.Joachimiak. Crystal Structure of Putative Marr Family Transcriptional Regulator Hcar From Acinetobacter Sp. Adp Complexed with Ferulic Acid To Be Published 2014.