Chlorine in PDB 3i4p: Crystal Structure of Asnc Family Transcriptional Regulator From Agrobacterium Tumefaciens

The structure of Crystal Structure of Asnc Family Transcriptional Regulator From Agrobacterium Tumefaciens, PDB code: 3i4p was solved by M.Cymborowski, M.Chruszcz, H.Luo, X.Xu, A.Savchenko, A.Edwards, A.Joachimiak, W.Minor, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.30
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	141.833, 141.833, 50.283, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 21.4

The structure of Crystal Structure of Asnc Family Transcriptional Regulator From Agrobacterium Tumefaciens also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Asnc Family Transcriptional Regulator From Agrobacterium Tumefaciens (pdb code 3i4p). 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 Asnc Family Transcriptional Regulator From Agrobacterium Tumefaciens, PDB code: 3i4p:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of Asnc Family Transcriptional Regulator From Agrobacterium Tumefaciens


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 Asnc Family Transcriptional Regulator From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl163 b:57.9 occ:1.00 NH1 A:ARG48 3.2 11.7 1.0 NH2 A:ARG49 3.3 21.1 1.0 NE A:ARG49 3.5 20.0 1.0 CB A:ARG48 3.6 11.7 1.0 CZ A:ARG49 3.8 22.1 1.0 CD A:ARG48 3.9 11.8 1.0 CG A:ARG48 4.1 12.2 1.0 CZ A:ARG48 4.3 11.8 1.0 O A:ARG48 4.4 12.8 1.0 C A:ARG48 4.5 12.9 1.0 NE A:ARG48 4.5 11.0 1.0 CA A:ARG48 4.7 12.3 1.0 CD A:ARG49 4.7 18.0 1.0 CG A:ARG49 4.8 15.8 1.0 CB A:ARG49 4.9 15.4 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of Asnc Family Transcriptional Regulator From Agrobacterium Tumefaciens


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 Asnc Family Transcriptional Regulator From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl164 b:47.7 occ:0.50 O A:HOH252 3.0 27.4 1.0 N A:ILE113 3.3 24.8 1.0 CB A:ASP112 3.5 26.0 1.0 CA A:ASP112 3.7 25.6 1.0 CG1 A:ILE113 3.9 25.2 1.0 C A:ASP112 4.0 25.4 1.0 CB A:ILE113 4.1 24.2 1.0 CD1 A:ILE113 4.1 25.8 1.0 CA A:ILE113 4.3 24.3 1.0 O A:HOH261 4.4 30.4 1.0 O A:HOH193 4.5 32.3 1.0 CG2 A:VAL63 4.8 25.1 1.0 CG A:ASP112 4.9 28.0 1.0 O A:PRO111 5.0 25.6 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Asnc Family Transcriptional Regulator From Agrobacterium Tumefaciens


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 Asnc Family Transcriptional Regulator From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl165 b:68.5 occ:1.00 O A:HOH246 3.7 30.2 1.0 CG2 A:THR17 4.2 35.5 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Asnc Family Transcriptional Regulator From Agrobacterium Tumefaciens


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 Asnc Family Transcriptional Regulator From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl166 b:61.0 occ:0.50 OG A:SER16 2.9 35.5 1.0 O A:SER16 3.6 35.3 1.0 CB A:SER16 3.8 36.0 1.0 C A:SER16 4.1 35.4 1.0 CD A:ARG50 4.2 29.3 1.0 CB A:ARG50 4.3 21.0 1.0 CA A:SER16 4.6 35.6 1.0 O A:HOH223 4.7 56.1 1.0 N A:THR17 4.7 35.6 1.0 CG A:ARG50 4.8 24.6 1.0 CA A:THR17 4.9 35.7 1.0 CG2 A:THR17 4.9 35.5 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of Asnc Family Transcriptional Regulator From Agrobacterium Tumefaciens


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 Asnc Family Transcriptional Regulator From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl168 b:49.0 occ:1.00 CA A:CA167 3.0 81.4 1.0 N A:GLY100 3.3 29.1 1.0 O A:HOH276 3.4 22.9 1.0 O A:HOH235 3.6 30.7 1.0 CA A:SER99 3.7 28.4 1.0 O A:GLY100 3.9 27.7 1.0 C A:SER99 4.0 28.8 1.0 CB A:SER99 4.1 29.0 1.0 O A:HOH251 4.2 31.8 1.0 CA A:GLY100 4.4 28.7 1.0 C A:GLY100 4.6 28.6 1.0 O A:HOH267 4.8 23.0 1.0 O A:MSE98 4.8 26.7 1.0 N A:SER99 4.9 27.9 1.0

M.Cymborowski, M.Chruszcz, H.Luo, X.Xu, A.Savchenko, A.Edwards, A.Joachimiak, W.Minor. Crystal Structure of Asnc Family Transcriptional Regulator From Agrobacterium Tumefaciens To Be Published.