Chlorine in PDB 4rgx: Crystal Structure of Putative Marr Family Transcriptional Regulator Hcar From Acinetobacter Sp. Adp Complexed with 3,4-Dihydroxy Bezoic Acid

The structure of Crystal Structure of Putative Marr Family Transcriptional Regulator Hcar From Acinetobacter Sp. Adp Complexed with 3,4-Dihydroxy Bezoic Acid, PDB code: 4rgx 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)	34.78 / 2.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	63.584, 83.105, 63.049, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 21.9

The binding sites of Chlorine atom in the Crystal Structure of Putative Marr Family Transcriptional Regulator Hcar From Acinetobacter Sp. Adp Complexed with 3,4-Dihydroxy Bezoic Acid (pdb code 4rgx). 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 3,4-Dihydroxy Bezoic Acid, PDB code: 4rgx:
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 3,4-Dihydroxy Bezoic 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 3,4-Dihydroxy Bezoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:59.1 occ:1.00 CB B:ARG11 3.3 94.7 1.0 ND2 A:ASN139 3.4 30.9 1.0 NH2 A:ARG138 3.5 35.8 1.0 CG B:ARG11 3.5 97.4 1.0 OD1 A:ASN139 3.9 32.1 1.0 CG A:ASN139 4.1 34.7 1.0 N B:GLU12 4.2 76.0 1.0 CD B:ARG11 4.3 94.6 1.0 CD1 A:PHE135 4.6 44.6 1.0 CA B:ARG11 4.7 0.8 1.0 CZ A:ARG138 4.8 39.5 1.0 CB A:PHE135 4.8 33.4 1.0 CB B:GLU12 4.8 78.6 1.0 O A:HOH384 4.8 57.2 1.0 O B:GLU12 4.9 60.4 1.0 C B:ARG11 5.0 92.5 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 3,4-Dihydroxy Bezoic 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 3,4-Dihydroxy Bezoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:51.9 occ:1.00 O A:HOH395 3.1 65.8 1.0 NH2 B:ARG138 3.4 37.1 1.0 ND2 B:ASN139 3.4 36.1 1.0 CA A:ARG11 3.9 94.1 1.0 CB A:ARG11 3.9 89.3 1.0 OD1 B:ASN139 3.9 42.1 1.0 N A:GLU12 4.0 91.4 1.0 OE2 A:GLU12 4.0 0.6 1.0 OE1 A:GLU12 4.0 0.2 1.0 CG B:ASN139 4.1 38.8 1.0 CD A:GLU12 4.1 0.8 1.0 C A:ARG11 4.4 94.9 1.0 CD1 B:PHE135 4.4 48.0 1.0 O A:GLU12 4.6 71.8 1.0 CZ B:ARG138 4.6 38.8 1.0 CB B:PHE135 4.7 32.5 1.0 O A:HOH373 5.0 59.5 1.0 CG B:PHE135 5.0 40.1 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 3,4-Dihydroxy Bezoic Acid To Be Published 2014.