Chlorine in PDB 3pxp: Crystal Structure of A Pas and Dna Binding Domain Containing Protein (CAUR_2278) From Chloroflexus Aurantiacus J-10-Fl at 2.30 A Resolution

The structure of Crystal Structure of A Pas and Dna Binding Domain Containing Protein (CAUR_2278) From Chloroflexus Aurantiacus J-10-Fl at 2.30 A Resolution, PDB code: 3pxp was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.75 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	228.807, 83.568, 54.520, 90.00, 103.12, 90.00
R / Rfree (%)	16.8 / 20.6

The binding sites of Chlorine atom in the Crystal Structure of A Pas and Dna Binding Domain Containing Protein (CAUR_2278) From Chloroflexus Aurantiacus J-10-Fl at 2.30 A Resolution (pdb code 3pxp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of A Pas and Dna Binding Domain Containing Protein (CAUR_2278) From Chloroflexus Aurantiacus J-10-Fl at 2.30 A Resolution, PDB code: 3pxp:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of A Pas and Dna Binding Domain Containing Protein (CAUR_2278) From Chloroflexus Aurantiacus J-10-Fl at 2.30 A Resolution


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 A Pas and Dna Binding Domain Containing Protein (CAUR_2278) From Chloroflexus Aurantiacus J-10-Fl at 2.30 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:64.2 occ:1.00 O A:HOH489 3.2 35.2 1.0 O A:HOH454 3.2 35.2 1.0 CE1 A:HIS231 3.8 24.4 1.0 NH2 A:ARG163 3.9 83.4 1.0 ND2 A:ASN132 3.9 47.4 1.0 CG2 A:VAL233 4.0 28.8 1.0 CB A:ASN132 4.0 32.4 1.0 NE2 A:HIS231 4.4 24.2 1.0 CG2 A:VAL164 4.5 42.5 1.0 CG A:ASN132 4.5 50.6 1.0 O A:PHE131 4.5 34.7 1.0 NH1 A:ARG163 4.7 95.8 1.0 CZ A:ARG163 4.8 0.2 1.0 ND1 A:HIS231 4.9 26.1 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of A Pas and Dna Binding Domain Containing Protein (CAUR_2278) From Chloroflexus Aurantiacus J-10-Fl at 2.30 A Resolution


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 A Pas and Dna Binding Domain Containing Protein (CAUR_2278) From Chloroflexus Aurantiacus J-10-Fl at 2.30 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:49.9 occ:1.00 N B:ASN277 3.7 36.7 1.0 NE B:ARG129 3.7 74.6 1.0 CE B:MSE125 3.8 47.2 1.0 CA B:ALA276 3.9 39.2 1.0 NH2 B:ARG129 4.1 71.3 1.0 CB B:MSE125 4.2 33.5 1.0 CG B:MSE125 4.2 41.8 1.0 C B:ALA276 4.3 41.6 1.0 CB B:ALA276 4.4 38.6 1.0 CZ B:ARG129 4.4 87.5 1.0 CG B:ASN277 4.4 51.5 1.0 CB B:ASN277 4.5 34.5 1.0 O B:VAL275 4.5 48.3 1.0 OD1 B:ASN277 4.6 47.8 1.0 CD B:ARG129 4.7 64.5 1.0 CA B:ASN277 4.7 36.3 1.0 ND2 B:ASN277 4.8 39.0 1.0 CG B:ARG129 4.9 46.2 1.0 SE B:MSE125 5.0 50.3 0.8 N B:ALA276 5.0 40.8 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of A Pas and Dna Binding Domain Containing Protein (CAUR_2278) From Chloroflexus Aurantiacus J-10-Fl at 2.30 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of A Pas and Dna Binding Domain Containing Protein (CAUR_2278) From Chloroflexus Aurantiacus J-10-Fl at 2.30 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl303 b:80.5 occ:1.00 CD C:ARG91 3.3 64.5 1.0 NH1 C:ARG91 3.3 64.7 1.0 CB C:ARG91 3.8 49.0 1.0 CG C:ARG91 3.8 60.1 1.0 OG C:SER96 3.9 44.3 1.0 O C:HOH842 4.0 58.5 1.0 NE C:ARG91 4.2 64.1 1.0 CZ C:ARG91 4.2 76.5 1.0 CD1 C:ILE246 4.3 48.1 1.0 CA C:SER96 4.3 32.1 1.0 CB C:SER96 4.4 33.7 1.0 CD2 C:TYR99 4.4 37.2 1.0 CG C:TYR99 4.7 37.7 1.0 N C:ARG91 4.8 55.1 1.0 CE2 C:TYR99 4.9 38.3 1.0 CA C:ARG91 4.9 52.3 1.0 CB C:TYR99 4.9 35.9 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of A Pas and Dna Binding Domain Containing Protein (CAUR_2278) From Chloroflexus Aurantiacus J-10-Fl at 2.30 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of A Pas and Dna Binding Domain Containing Protein (CAUR_2278) From Chloroflexus Aurantiacus J-10-Fl at 2.30 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl304 b:64.0 occ:1.00 O C:GLY80 4.0 60.5 1.0 N C:ILE82 4.1 68.8 1.0 CD1 C:ILE81 4.1 70.8 1.0 CA C:ILE81 4.3 62.3 1.0 O C:HOH836 4.4 56.2 1.0 CD1 C:ILE82 4.5 75.4 1.0 C C:ILE81 4.7 68.4 1.0 CG1 C:ILE82 4.8 71.2 1.0 CB C:ILE82 4.8 72.9 1.0 C C:GLY80 4.9 61.5 1.0 O C:HOH857 5.0 59.1 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of A Pas and Dna Binding Domain Containing Protein (CAUR_2278) From Chloroflexus Aurantiacus J-10-Fl at 2.30 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of A Pas and Dna Binding Domain Containing Protein (CAUR_2278) From Chloroflexus Aurantiacus J-10-Fl at 2.30 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl305 b:86.8 occ:1.00 O C:HOH552 3.3 40.6 1.0 CB C:ARG162 3.8 29.1 1.0 O C:GLY156 4.0 35.9 1.0 OD1 C:ASP160 4.2 54.1 1.0 N C:ARG162 4.2 31.4 1.0 O C:PHE155 4.2 29.2 1.0 O C:VAL154 4.3 25.6 1.0 CH2 C:TRP169 4.3 28.7 1.0 NE C:ARG162 4.3 57.8 1.0 CZ2 C:TRP169 4.4 29.2 1.0 C C:PHE155 4.6 28.1 1.0 NH2 C:ARG162 4.6 62.2 1.0 CZ C:ARG162 4.6 73.8 1.0 CA C:ARG162 4.6 32.1 1.0 CG C:GLU205 4.7 33.6 1.0 N C:PHE161 4.8 30.7 1.0 CA C:PHE155 4.8 21.3 1.0 CZ3 C:TRP169 4.9 27.9 1.0 O C:HOH452 4.9 33.4 1.0 O C:TYR159 4.9 39.9 1.0 CD C:ARG162 5.0 39.3 1.0 C C:GLY156 5.0 34.1 1.0 O C:HOH517 5.0 36.5 1.0 CG C:ARG162 5.0 32.1 1.0 CB C:GLU205 5.0 27.5 1.0

Q.Xu, G.P.Van Wezel, H.J.Chiu, L.Jaroszewski, H.E.Klock, M.W.Knuth, M.D.Miller, S.A.Lesley, A.Godzik, M.A.Elsliger, A.M.Deacon, I.A.Wilson. Structure of An Mmyb-Like Regulator From C. Aurantiacus, Member of A New Transcription Factor Family Linked to Antibiotic Metabolism in Actinomycetes. Plos One V. 7 41359 2012.
ISSN: ESSN 1932-6203
PubMed: 22844465
DOI: 10.1371/JOURNAL.PONE.0041359