Chlorine in PDB 6p01: Apo Structure of the E52D Mutant of Ant-4

The structure of Apo Structure of the E52D Mutant of Ant-4, PDB code: 6p01 was solved by B.Selvaraj, M.J.Cuneo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.19 / 1.89
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.340, 97.040, 100.850, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 20.6

The structure of Apo Structure of the E52D Mutant of Ant-4 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Apo Structure of the E52D Mutant of Ant-4 (pdb code 6p01). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Apo Structure of the E52D Mutant of Ant-4, PDB code: 6p01:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Apo Structure of the E52D Mutant of Ant-4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Apo Structure of the E52D Mutant of Ant-4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:68.1 occ:1.00 O B:HOH572 2.4 40.0 1.0 OG1 A:THR69 2.8 19.9 1.0 O A:HOH561 3.6 22.1 1.0 O B:HOH485 4.0 41.4 1.0 CB A:THR69 4.0 13.3 1.0 O B:HOH553 4.1 28.2 1.0 CG1 B:VAL247 4.1 21.1 1.0 CG2 A:THR69 4.2 16.8 1.0 CD2 B:PHE144 4.3 10.4 1.0 O B:HOH579 4.4 35.8 1.0 CE2 B:PHE144 4.6 12.7 1.0 CA A:GLY71 4.6 22.0 1.0 O B:HOH505 4.7 28.7 1.0 N A:GLY71 4.7 15.8 1.0 O B:HOH495 4.8 25.3 1.0 CG2 B:VAL140 5.0 15.0 1.0 CB B:VAL247 5.0 27.7 1.0

Chlorine binding site 2 out of 3 in the Apo Structure of the E52D Mutant of Ant-4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Apo Structure of the E52D Mutant of Ant-4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:38.8 occ:1.00 O A:HOH440 2.6 24.7 1.0 N A:LYS74 2.9 9.0 1.0 O A:HOH483 2.9 20.9 1.0 CA A:TRP73 3.3 10.7 1.0 CA A:ASP50 3.5 19.8 1.0 CB A:TRP73 3.5 10.1 1.0 O A:SER49 3.6 20.1 1.0 C A:TRP73 3.6 12.6 1.0 CB A:ASP50 3.8 22.1 1.0 N A:ASP50 3.9 18.0 1.0 CA A:LYS74 3.9 8.8 1.0 CE1 B:PHE144 3.9 9.5 1.0 CB A:LYS74 3.9 11.7 1.0 C A:SER49 3.9 22.8 1.0 O A:TYR48 3.9 17.6 1.0 O A:LYS74 4.0 14.6 1.0 O A:HOH409 4.0 34.3 1.0 CB A:PRO4 4.2 12.3 1.0 C A:LYS74 4.4 16.6 1.0 O A:GLU72 4.5 15.0 1.0 N A:TRP73 4.6 12.2 1.0 C A:ASP50 4.7 20.9 1.0 CZ B:PHE144 4.8 10.4 1.0 O A:TRP73 4.8 11.7 1.0 CD1 B:PHE144 4.8 13.7 1.0 C A:TYR48 4.8 20.5 1.0 CG A:TRP73 4.8 14.7 1.0

Chlorine binding site 3 out of 3 in the Apo Structure of the E52D Mutant of Ant-4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Apo Structure of the E52D Mutant of Ant-4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:58.4 occ:1.00 N A:GLU127 3.1 18.5 1.0 CG A:GLU127 3.3 49.2 1.0 NZ A:LYS130 3.4 29.9 1.0 CB A:GLU127 3.6 18.4 1.0 OE2 A:GLU127 3.7 78.2 1.0 CD A:GLU127 3.8 72.2 1.0 CA A:VAL126 3.8 13.2 1.0 CD A:LYS130 3.8 31.8 1.0 CE A:LYS130 3.8 34.1 1.0 C A:VAL126 3.9 15.8 1.0 CA A:GLU127 3.9 17.2 1.0 O A:SER125 4.2 18.5 0.5 O A:SER125 4.2 18.5 0.5 CG1 A:VAL126 4.3 16.9 1.0 O A:HOH415 4.5 25.8 1.0 CB A:VAL126 4.6 14.1 1.0 OE1 A:GLU127 4.7 62.6 1.0 CG A:LYS130 4.7 20.2 1.0 N A:VAL126 4.8 16.7 1.0 C A:SER125 4.9 25.0 0.5 C A:SER125 4.9 24.9 0.5 CG2 A:VAL126 4.9 16.5 1.0

B.Selvaraj, M.J.Cuneo. Catch and Release: A Novel Variation of the Archetypal Nucleotidyl Transfer Reaction To Be Published.