Chlorine in PDB 3ssa: Crystal Structure of Subunit B Mutant N157T of the A1AO Atp Synthase

All present enzymatic activity of Crystal Structure of Subunit B Mutant N157T of the A1AO Atp Synthase:
3.6.3.14;

The structure of Crystal Structure of Subunit B Mutant N157T of the A1AO Atp Synthase, PDB code: 3ssa was solved by L.Sundararaman, 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)	13.45 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.335, 95.803, 130.367, 90.00, 90.00, 90.00
R / Rfree (%)	14.6 / 19.3

The structure of Crystal Structure of Subunit B Mutant N157T 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 N157T of the A1AO Atp Synthase (pdb code 3ssa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Subunit B Mutant N157T of the A1AO Atp Synthase, PDB code: 3ssa:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Subunit B Mutant N157T 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 N157T of the A1AO Atp Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl462 b:20.2 occ:1.00 O A:HOH756 2.6 38.6 1.0 O A:HOH489 3.1 22.3 1.0 NH1 B:ARG334 3.1 18.6 1.0 N A:ASP316 3.4 18.8 1.0 CA B:GLU331 3.7 17.7 1.0 CB A:ASP316 3.7 18.1 1.0 CB B:GLU331 3.8 18.8 1.0 CD B:ARG334 3.9 18.2 1.0 CA A:PRO315 4.0 18.7 1.0 CD2 A:TYR277 4.0 26.2 1.0 CG B:GLU331 4.0 25.5 1.0 O A:HOH684 4.0 34.6 1.0 C A:PRO315 4.2 18.0 1.0 CA A:ASP316 4.2 17.6 1.0 CZ B:ARG334 4.3 22.3 1.0 N B:GLU331 4.3 16.1 1.0 CE2 A:TYR277 4.4 27.3 1.0 CB A:PRO315 4.6 20.0 1.0 NE B:ARG334 4.6 18.9 1.0 C B:GLU331 5.0 18.2 1.0 C B:ARG330 5.0 18.3 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Subunit B Mutant N157T 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 N157T of the A1AO Atp Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl464 b:54.6 occ:1.00 OG B:SER90 3.0 22.7 1.0 OE1 B:GLU219 3.1 27.1 1.0 CB B:SER90 3.2 21.1 1.0 OG B:SER92 3.6 29.5 1.0 O B:HOH692 3.6 49.7 1.0 OE2 B:GLU219 3.7 31.2 1.0 CD B:GLU219 3.7 34.4 1.0 O B:HOH908 4.3 55.8 1.0 O B:HOH493 4.4 19.6 1.0 CB B:SER92 4.5 24.6 1.0 CB B:GLU94 4.6 27.7 1.0 CA B:SER90 4.7 18.6 1.0 CG B:GLU94 4.7 38.0 1.0 N B:SER92 4.9 23.6 1.0 NH2 B:ARG96 4.9 35.3 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Subunit B Mutant N157T 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 3 of Crystal Structure of Subunit B Mutant N157T of the A1AO Atp Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl468 b:23.1 occ:1.00 OH B:TYR277 3.0 23.7 1.0 O B:HOH545 3.1 29.9 1.0 N B:ASP316 3.2 20.1 1.0 CE B:MET276 3.8 23.9 1.0 CA B:PRO315 3.8 27.5 1.0 CE1 B:TYR277 3.8 18.3 1.0 CZ B:TYR277 3.9 21.4 1.0 CD A:ARG330 3.9 26.9 1.0 CB B:ASP316 3.9 17.4 1.0 CD2 B:TYR272 3.9 25.5 1.0 C B:PRO315 4.0 25.0 1.0 CA B:ASP316 4.1 19.6 1.0 O B:HOH673 4.2 45.7 1.0 O B:ILE314 4.3 30.9 1.0 CB B:TYR272 4.3 29.1 1.0 CG A:ARG330 4.4 21.1 1.0 NE A:ARG330 4.4 29.2 1.0 CB A:ARG330 4.4 17.2 1.0 NH1 A:ARG334 4.5 29.6 1.0 CG B:TYR272 4.5 24.5 1.0 CB B:PRO315 4.7 30.3 1.0 CE2 B:TYR272 4.9 29.4 1.0 O B:ASP316 4.9 17.9 1.0 N B:PRO315 4.9 29.9 1.0 C B:ASP316 5.0 17.1 1.0

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