Chlorine in PDB 3tgw: Crystal Structure of Subunit B Mutant H156A of the A1AO Atp Synthase

All present enzymatic activity of Crystal Structure of Subunit B Mutant H156A of the A1AO Atp Synthase:
3.6.3.14;

The structure of Crystal Structure of Subunit B Mutant H156A of the A1AO Atp Synthase, PDB code: 3tgw was solved by V.S.Tadwal, M.S.S.Manimekalai, J.Jeyakanthan, G.Gruber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.10 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.933, 95.802, 130.268, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / 19.7

The structure of Crystal Structure of Subunit B Mutant H156A of the A1AO Atp Synthase also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Subunit B Mutant H156A of the A1AO Atp Synthase (pdb code 3tgw). 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 Subunit B Mutant H156A of the A1AO Atp Synthase, PDB code: 3tgw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Subunit B Mutant H156A of the A1AO Atp Synthase


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 Subunit B Mutant H156A of the A1AO Atp Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl467 b:21.5 occ:1.00 O A:HOH486 3.0 38.7 1.0 O A:HOH601 3.1 26.9 1.0 NH1 B:ARG334 3.1 16.9 1.0 N A:ASP316 3.4 19.7 1.0 CA B:GLU331 3.7 16.3 1.0 CD2 A:TYR277 3.7 24.4 1.0 CB A:ASP316 3.8 18.9 1.0 CB B:GLU331 3.8 17.3 1.0 CA A:PRO315 4.0 19.8 1.0 CD B:ARG334 4.0 19.3 1.0 CG B:GLU331 4.0 24.1 1.0 CE2 A:TYR277 4.1 28.7 1.0 C A:PRO315 4.2 18.4 1.0 N B:GLU331 4.2 15.6 1.0 O A:HOH710 4.3 31.1 1.0 CA A:ASP316 4.3 17.9 1.0 CZ B:ARG334 4.3 19.6 1.0 CB A:PRO315 4.5 20.3 1.0 NE B:ARG334 4.7 19.6 1.0 C B:ARG330 4.9 18.1 1.0 CD B:GLU331 4.9 33.4 1.0 C B:GLU331 5.0 17.8 1.0 CG A:TYR277 5.0 24.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Subunit B Mutant H156A of the A1AO Atp Synthase


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 Subunit B Mutant H156A of the A1AO Atp Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl464 b:22.6 occ:1.00 OH B:TYR277 3.0 23.9 1.0 O B:HOH845 3.2 26.7 1.0 N B:ASP316 3.2 20.0 1.0 O A:HOH742 3.2 47.0 1.0 CE B:MET276 3.7 20.3 1.0 CA B:PRO315 3.8 25.3 1.0 CE2 B:TYR277 3.8 16.8 1.0 CZ B:TYR277 3.9 21.5 1.0 CD A:ARG330 3.9 22.1 1.0 CD1 B:TYR272 3.9 23.9 1.0 CB B:ASP316 3.9 16.6 1.0 C B:PRO315 3.9 23.3 1.0 CA B:ASP316 4.1 18.0 1.0 CB B:TYR272 4.3 25.4 1.0 O B:ILE314 4.3 29.1 1.0 O B:HOH826 4.3 48.6 1.0 NE A:ARG330 4.4 27.1 1.0 CB A:ARG330 4.4 15.9 1.0 CG A:ARG330 4.5 17.8 1.0 NH1 A:ARG334 4.5 29.1 1.0 CG B:TYR272 4.5 25.5 1.0 CB B:PRO315 4.7 26.0 1.0 CE1 B:TYR272 4.8 25.3 1.0 N B:PRO315 4.9 27.6 1.0 O B:ASP316 4.9 16.1 1.0 C B:ASP316 5.0 16.0 1.0

V.S.Tadwal, M.S.S.Manimekalai, G.Gruber. Structure of Subunit A Mutants H156A, N157A and N157T of the A1AO Atp Synthase To Be Published.