Chlorine in PDB 3nz2: Crystal Structure of Hexapeptide-Repeat Containing-Acetyltransferase VCA0836 Complexed with Acetyl Co Enzyme A From Vibrio Cholerae O1 Biovar Eltor

The structure of Crystal Structure of Hexapeptide-Repeat Containing-Acetyltransferase VCA0836 Complexed with Acetyl Co Enzyme A From Vibrio Cholerae O1 Biovar Eltor, PDB code: 3nz2 was solved by Y.Kim, N.Maltseva, J.Hasseman, W.F.Anderson, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.63 / 2.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.316, 135.801, 120.535, 90.00, 91.77, 90.00
R / Rfree (%)	18.8 / 25.3

The structure of Crystal Structure of Hexapeptide-Repeat Containing-Acetyltransferase VCA0836 Complexed with Acetyl Co Enzyme A From Vibrio Cholerae O1 Biovar Eltor also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Hexapeptide-Repeat Containing-Acetyltransferase VCA0836 Complexed with Acetyl Co Enzyme A From Vibrio Cholerae O1 Biovar Eltor (pdb code 3nz2). 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 Hexapeptide-Repeat Containing-Acetyltransferase VCA0836 Complexed with Acetyl Co Enzyme A From Vibrio Cholerae O1 Biovar Eltor, PDB code: 3nz2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of Hexapeptide-Repeat Containing-Acetyltransferase VCA0836 Complexed with Acetyl Co Enzyme A From Vibrio Cholerae O1 Biovar Eltor


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 Hexapeptide-Repeat Containing-Acetyltransferase VCA0836 Complexed with Acetyl Co Enzyme A From Vibrio Cholerae O1 Biovar Eltor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl197 b:73.9 occ:1.00 N B:GLY17 3.4 39.5 1.0 CA B:GLY17 4.0 40.0 1.0 O B:PHE15 4.1 32.1 1.0 O B:ALA122 4.2 27.8 1.0 O B:TRP123 4.3 16.8 1.0 C B:ASP16 4.4 40.8 1.0 CA B:ASP16 4.5 41.4 1.0 CB B:TRP123 4.7 28.0 1.0 OD1 B:ASP16 4.7 49.5 1.0 C B:TRP123 4.9 23.8 1.0 C B:GLY17 4.9 46.7 1.0 CE1 B:PHE15 4.9 39.9 1.0 N B:ALA18 4.9 46.0 1.0 C B:PHE15 5.0 37.6 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of Hexapeptide-Repeat Containing-Acetyltransferase VCA0836 Complexed with Acetyl Co Enzyme A From Vibrio Cholerae O1 Biovar Eltor


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 Hexapeptide-Repeat Containing-Acetyltransferase VCA0836 Complexed with Acetyl Co Enzyme A From Vibrio Cholerae O1 Biovar Eltor within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl196 b:61.4 occ:1.00 O C:HOH972 3.6 34.0 1.0 O C:ALA177 3.7 28.4 1.0 CG C:GLN164 3.8 35.5 1.0 O C:ASP165 3.8 33.2 1.0 CG2 C:VAL166 3.9 7.3 1.0 O C:GLN164 3.9 22.6 1.0 C C:ALA177 4.3 21.9 1.0 CD C:GLN164 4.4 44.2 1.0 NE2 C:GLN164 4.4 38.6 1.0 C C:ASP165 4.5 28.8 1.0 C C:GLN164 4.5 26.3 1.0 CB C:ALA177 4.6 20.1 1.0 CA C:VAL166 4.6 21.7 1.0 CG1 C:VAL172 4.7 18.2 1.0 N C:VAL166 4.8 22.5 1.0 CB C:VAL166 4.8 20.0 1.0 CG1 C:VAL162 4.9 10.2 1.0 N C:GLN164 4.9 17.6 1.0 CB C:GLN164 5.0 29.8 1.0 N C:ARG178 5.0 20.0 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Hexapeptide-Repeat Containing-Acetyltransferase VCA0836 Complexed with Acetyl Co Enzyme A From Vibrio Cholerae O1 Biovar Eltor


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 Hexapeptide-Repeat Containing-Acetyltransferase VCA0836 Complexed with Acetyl Co Enzyme A From Vibrio Cholerae O1 Biovar Eltor within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl193 b:51.9 occ:1.00 ND1 E:HIS79 3.3 23.0 1.0 CE2 F:TRP123 4.1 25.1 1.0 CE1 E:HIS79 4.1 20.4 1.0 CZ2 F:TRP123 4.2 26.2 1.0 O E:LYS59 4.2 34.8 1.0 CD2 F:TRP123 4.2 27.7 1.0 CG E:HIS79 4.3 22.6 1.0 CH2 F:TRP123 4.4 23.8 1.0 CB E:HIS79 4.5 16.5 1.0 CE3 F:TRP123 4.5 32.6 1.0 NE1 F:TRP123 4.5 24.8 1.0 CB E:LYS59 4.5 26.1 1.0 CZ3 F:TRP123 4.6 31.2 1.0 CA E:HIS79 4.6 12.1 1.0 CG F:TRP123 4.7 31.3 1.0 O F:GLN121 4.8 31.6 1.0 CD1 F:TRP123 4.8 28.8 1.0 CD E:LYS59 4.9 0.9 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Hexapeptide-Repeat Containing-Acetyltransferase VCA0836 Complexed with Acetyl Co Enzyme A From Vibrio Cholerae O1 Biovar Eltor


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 Hexapeptide-Repeat Containing-Acetyltransferase VCA0836 Complexed with Acetyl Co Enzyme A From Vibrio Cholerae O1 Biovar Eltor within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl196 b:70.5 occ:1.00 O H:HOH266 3.2 28.0 1.0 CG1 H:ILE126 3.6 29.5 1.0 NE2 H:HIS14 3.6 61.3 1.0 N H:SER114 3.6 32.8 1.0 C H:HIS113 3.9 34.7 1.0 CA H:HIS113 4.0 30.1 1.0 O H:GLU124 4.1 34.0 1.0 CB H:SER114 4.2 21.8 1.0 CA H:SER114 4.3 24.2 1.0 N H:ILE126 4.3 25.1 1.0 CD2 H:HIS14 4.3 62.7 1.0 O H:SER112 4.3 35.1 1.0 CB H:ILE126 4.4 28.4 1.0 C H:GLU124 4.4 30.8 1.0 N H:THR125 4.6 25.1 1.0 O H:HIS113 4.6 37.3 1.0 CA H:THR125 4.6 30.2 1.0 CE1 H:HIS14 4.6 62.2 1.0 C H:THR125 4.6 29.8 1.0 CD1 H:ILE126 4.6 30.1 1.0 CB H:GLU124 4.7 27.4 1.0 N H:HIS113 4.9 32.6 1.0 CB H:HIS113 4.9 30.6 1.0 CA H:ILE126 4.9 26.7 1.0 C H:SER112 5.0 31.0 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of Hexapeptide-Repeat Containing-Acetyltransferase VCA0836 Complexed with Acetyl Co Enzyme A From Vibrio Cholerae O1 Biovar Eltor


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 Hexapeptide-Repeat Containing-Acetyltransferase VCA0836 Complexed with Acetyl Co Enzyme A From Vibrio Cholerae O1 Biovar Eltor within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl196 b:58.0 occ:1.00 O L:HOH271 3.3 41.5 1.0 ND2 J:ASN37 3.3 19.8 1.0 O J:HOH348 3.9 40.9 1.0 CA J:LEU34 3.9 28.8 1.0 N J:LEU34 4.1 22.3 1.0 CB J:ASN37 4.1 14.8 1.0 O J:LYS33 4.1 13.7 1.0 CG J:ASN37 4.2 16.3 1.0 C J:LYS33 4.2 23.3 1.0 CE1 J:HIS67 4.4 15.1 1.0 CD1 J:LEU34 4.5 32.7 1.0 O J:HOH200 4.5 30.2 1.0 CB J:LEU34 4.5 34.0 1.0 CB J:LYS33 4.5 27.2 1.0 ND1 J:HIS67 4.6 17.2 1.0 O L:ASN37 4.8 22.8 1.0

Y.Kim, N.Maltseva, J.Hasseman, W.F.Anderson, A.Joachimiak. Crystal Structure of Hexapeptide-Repeat Containing-Acetyltransferase VCA0836 Complexed with Acetyl Co Enzyme A From Vibrio Cholerae O1 Biovar Eltor To Be Published.