Chlorine in PDB 5mbc: Structure of A Bacterial Light-Regulated Adenylyl Cylcase

The structure of Structure of A Bacterial Light-Regulated Adenylyl Cylcase, PDB code: 5mbc was solved by R.Lindner, E.Hartmann, M.Tarnawski, A.Winkler, D.Frey, J.Reinstein, A.Meinhart, I.Schlichting, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.55 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	47.950, 56.670, 78.090, 104.20, 104.01, 102.54
R / Rfree (%)	19 / 22.5

The binding sites of Chlorine atom in the Structure of A Bacterial Light-Regulated Adenylyl Cylcase (pdb code 5mbc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of A Bacterial Light-Regulated Adenylyl Cylcase, PDB code: 5mbc:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of A Bacterial Light-Regulated Adenylyl Cylcase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Bacterial Light-Regulated Adenylyl Cylcase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:30.5 occ:1.00 O A:HOH533 3.3 49.1 1.0 N A:THR305 3.3 32.6 1.0 CG A:GLU328 3.4 32.4 0.5 N A:ASN327 3.5 26.9 1.0 N A:GLU328 3.5 26.1 1.0 O A:HOH501 3.5 59.0 1.0 CB A:THR305 3.8 33.9 1.0 CB A:VAL326 3.8 25.3 1.0 CB A:ASN327 3.9 27.6 1.0 CA A:THR305 4.0 34.8 1.0 CA A:ASN327 4.0 21.6 1.0 CE3 A:TRP304 4.0 20.4 1.0 CB A:GLU328 4.1 29.0 0.5 O A:THR305 4.1 29.3 1.0 CB A:GLU328 4.1 28.9 0.5 OG1 A:THR305 4.1 33.1 1.0 C A:ASN327 4.2 20.9 1.0 C A:VAL326 4.2 27.6 1.0 CA A:TRP304 4.2 22.3 1.0 C A:TRP304 4.2 32.6 1.0 C A:THR305 4.4 28.9 1.0 CA A:GLU328 4.4 26.0 0.5 CA A:GLU328 4.4 25.9 0.5 CA A:VAL326 4.4 25.7 1.0 OE2 A:GLU328 4.4 38.1 0.5 CD A:GLU328 4.4 37.8 0.5 CB A:TRP304 4.5 24.1 1.0 CG2 A:VAL326 4.5 21.1 1.0 CG1 A:VAL326 4.6 20.5 1.0 OE1 A:GLU328 4.7 39.9 0.5 CZ3 A:TRP304 4.8 24.2 1.0 CD2 A:TRP304 5.0 18.5 1.0

Chlorine binding site 2 out of 3 in the Structure of A Bacterial Light-Regulated Adenylyl Cylcase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Bacterial Light-Regulated Adenylyl Cylcase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:51.9 occ:1.00 NE B:ARG130 3.0 41.5 1.0 O B:HOH711 3.0 44.7 1.0 CG B:ARG130 3.5 28.6 1.0 NE2 B:HIS266 3.5 41.4 1.0 CD1 B:LEU134 3.8 30.3 1.0 CD2 B:HIS266 3.8 36.9 1.0 CD B:ARG130 3.8 35.7 1.0 CG B:GLU255 3.8 33.7 1.0 NH2 B:ARG130 3.9 47.1 1.0 CZ B:ARG130 3.9 45.0 1.0 CA B:GLY256 3.9 32.5 1.0 N B:GLY256 4.2 26.7 1.0 CD B:GLU255 4.3 45.7 1.0 O B:GLU255 4.4 25.2 1.0 C B:GLU255 4.4 18.5 1.0 CG B:LEU134 4.5 27.0 1.0 CD2 B:LEU134 4.5 32.7 1.0 ND2 B:ASN257 4.6 26.1 1.0 OE2 B:GLU255 4.6 47.7 1.0 CE1 B:HIS266 4.7 34.0 1.0 C B:GLY256 4.7 23.2 1.0 OE1 B:GLU255 4.8 37.3 1.0 O B:HOH600 4.9 23.3 1.0 CB B:GLU255 4.9 26.1 1.0 CB B:ARG130 4.9 22.2 1.0

Chlorine binding site 3 out of 3 in the Structure of A Bacterial Light-Regulated Adenylyl Cylcase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of A Bacterial Light-Regulated Adenylyl Cylcase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:29.9 occ:1.00 O B:HOH509 2.9 47.9 1.0 N B:THR305 3.4 28.1 1.0 N B:ASN327 3.4 26.6 1.0 N B:GLU328 3.5 25.9 1.0 O B:HOH505 3.7 45.8 1.0 CB B:THR305 3.8 37.4 1.0 CB B:VAL326 3.8 28.1 1.0 CB B:ASN327 3.9 27.7 1.0 O B:HOH527 4.0 41.1 1.0 CA B:ASN327 4.0 26.3 1.0 CA B:THR305 4.0 31.0 1.0 O B:THR305 4.1 26.9 1.0 CB B:GLU328 4.1 34.5 1.0 OG1 B:THR305 4.2 34.8 1.0 C B:ASN327 4.2 21.6 1.0 CE3 B:TRP304 4.2 18.9 1.0 C B:VAL326 4.2 28.5 1.0 CA B:TRP304 4.3 24.4 1.0 C B:TRP304 4.3 26.3 1.0 C B:THR305 4.4 28.4 1.0 CA B:GLU328 4.4 29.1 1.0 CA B:VAL326 4.4 25.6 1.0 CG2 B:VAL326 4.5 23.9 1.0 CB B:TRP304 4.6 20.0 1.0 CG1 B:VAL326 4.7 23.1 1.0 OE1 B:GLU328 4.9 70.9 1.0 CZ3 B:TRP304 5.0 21.3 1.0

R.Lindner, E.Hartmann, M.Tarnawski, A.Winkler, D.Frey, J.Reinstein, A.Meinhart, I.Schlichting. Photoactivation Mechanism of A Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol. V. 429 1336 2017.
ISSN: ESSN 1089-8638
PubMed: 28336405
DOI: 10.1016/J.JMB.2017.03.020