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Chlorine in PDB 5m27: Structure of A Bacterial Light-Regulated Adenylyl Cylcase

Protein crystallography data

The structure of Structure of A Bacterial Light-Regulated Adenylyl Cylcase, PDB code: 5m27 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) 44.92 / 2.00
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 48.330, 56.570, 78.110, 104.28, 104.24, 102.18
R / Rfree (%) 21.1 / 24.3

Other elements in 5m27:

The structure of Structure of A Bacterial Light-Regulated Adenylyl Cylcase also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of A Bacterial Light-Regulated Adenylyl Cylcase (pdb code 5m27). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Structure of A Bacterial Light-Regulated Adenylyl Cylcase, PDB code: 5m27:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 5m27

Go back to Chlorine Binding Sites List in 5m27
Chlorine binding site 1 out of 6 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:Cl402

b:26.4
occ:1.00
 O A:HOH502 3.1 37.6 1.0
CG A:GLU328 3.3 29.3 1.0
N A:GLU328 3.4 25.2 1.0
N A:THR305 3.4 25.6 1.0
N A:ASN327 3.5 22.4 1.0
CB A:VAL326 3.7 22.5 1.0
CB A:THR305 3.8 26.9 1.0
CB A:ASN327 3.8 24.5 1.0
CE3 A:TRP304 3.9 21.2 1.0
CB A:GLU328 4.0 27.3 1.0
CA A:ASN327 4.0 23.8 1.0
CA A:THR305 4.0 26.1 1.0
O A:THR305 4.1 25.2 1.0
OG1 A:THR305 4.1 27.6 1.0
C A:ASN327 4.2 24.8 1.0
C A:VAL326 4.2 21.6 1.0
OE2 A:GLU328 4.3 32.2 1.0
CA A:GLU328 4.3 25.7 1.0
CD A:GLU328 4.3 31.0 1.0
CG2 A:VAL326 4.3 22.2 1.0
CA A:TRP304 4.3 26.2 1.0
C A:TRP304 4.4 25.9 1.0
C A:THR305 4.4 25.6 1.0
CA A:VAL326 4.4 21.6 1.0
CB A:TRP304 4.5 24.5 1.0
CG1 A:VAL326 4.5 22.7 1.0
CZ3 A:TRP304 4.6 20.8 1.0
CD2 A:TRP304 4.8 21.9 1.0

Chlorine binding site 2 out of 6 in 5m27

Go back to Chlorine Binding Sites List in 5m27
Chlorine binding site 2 out of 6 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
A:Cl403

b:55.8
occ:1.00
 NH2 A:ARG217 3.6 18.8 1.0
CB A:ALA302 3.7 32.1 1.0
CZ2 A:TRP304 4.1 21.3 1.0
CH2 A:TRP304 4.1 20.9 1.0
CE2 A:TRP304 4.1 21.8 1.0
CZ3 A:TRP304 4.2 20.8 1.0
CD2 A:TRP304 4.3 21.9 1.0
CE3 A:TRP304 4.3 21.2 1.0
NE A:ARG217 4.5 17.8 1.0
CZ A:ARG217 4.5 18.2 1.0
N A:GLN303 4.7 32.4 1.0
NE1 A:TRP304 4.7 22.4 1.0
CA A:ALA302 4.8 31.2 1.0
C A:GLN303 4.9 31.8 1.0
N A:TRP304 4.9 28.6 1.0
O A:GLN303 4.9 33.0 1.0
CG A:TRP304 4.9 22.9 1.0
C A:ALA302 5.0 31.4 1.0

Chlorine binding site 3 out of 6 in 5m27

Go back to Chlorine Binding Sites List in 5m27
Chlorine binding site 3 out of 6 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
A:Cl404

b:39.0
occ:1.00
 N A:LEU268 3.1 31.1 1.0
CG2 A:THR267 3.2 31.8 1.0
N B:GLY200 3.2 23.3 1.0
NZ A:LYS197 3.3 28.4 1.0
O A:LEU268 3.5 31.2 1.0
CA A:THR267 3.7 31.6 1.0
C A:THR267 3.9 31.2 1.0
O B:PHE198 3.9 23.9 1.0
CE A:MET204 3.9 24.8 1.0
CB A:THR267 4.0 31.7 1.0
CA B:ILE199 4.0 24.0 1.0
CA A:LEU268 4.0 30.7 1.0
C B:ILE199 4.1 23.4 1.0
CE A:LYS197 4.1 28.0 1.0
CA B:GLY200 4.1 23.4 1.0
C A:LEU268 4.2 30.2 1.0
CB A:LEU268 4.2 30.5 1.0
SD A:MET204 4.3 24.8 1.0
CD A:LYS197 4.5 27.0 1.0
C B:PHE198 4.6 23.3 1.0
OG1 A:THR267 4.7 32.0 1.0
N B:ILE199 4.7 22.9 1.0
O A:HIS266 4.7 33.2 1.0
CG2 B:ILE199 4.9 26.4 1.0
N A:THR267 4.9 32.3 1.0

Chlorine binding site 4 out of 6 in 5m27

Go back to Chlorine Binding Sites List in 5m27
Chlorine binding site 4 out of 6 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 4 of Structure of A Bacterial Light-Regulated Adenylyl Cylcase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:30.3
occ:1.00
 O B:HOH583 3.0 38.4 1.0
N B:THR305 3.2 28.8 1.0
N B:ASN327 3.4 24.6 1.0
N B:GLU328 3.5 26.4 1.0
CG B:GLU328 3.5 30.4 1.0
CB B:THR305 3.7 30.3 1.0
CB B:VAL326 3.8 23.6 1.0
CB B:ASN327 3.8 26.7 1.0
CA B:THR305 3.9 29.3 1.0
CA B:ASN327 4.0 25.8 1.0
O B:THR305 4.0 27.3 1.0
CE3 B:TRP304 4.0 22.2 1.0
C B:VAL326 4.2 23.8 1.0
C B:ASN327 4.2 26.1 1.0
OE2 B:GLU328 4.2 34.6 1.0
OG1 B:THR305 4.2 31.2 1.0
CB B:GLU328 4.2 28.1 1.0
C B:THR305 4.3 27.9 1.0
C B:TRP304 4.3 28.9 1.0
CD B:GLU328 4.3 32.8 1.0
CG2 B:VAL326 4.3 22.3 1.0
CA B:TRP304 4.3 28.8 1.0
CA B:VAL326 4.4 23.2 1.0
CA B:GLU328 4.4 26.9 1.0
CB B:TRP304 4.6 26.7 1.0
CZ3 B:TRP304 4.7 21.3 1.0
CG1 B:VAL326 4.8 23.8 1.0
CG2 B:THR305 4.9 30.9 1.0
CD2 B:TRP304 5.0 22.9 1.0

Chlorine binding site 5 out of 6 in 5m27

Go back to Chlorine Binding Sites List in 5m27
Chlorine binding site 5 out of 6 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 5 of Structure of A Bacterial Light-Regulated Adenylyl Cylcase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:59.7
occ:1.00
 O B:HOH622 3.2 27.4 1.0
NE B:ARG179 3.4 22.1 1.0
NH2 B:ARG186 3.4 22.2 1.0
CG1 B:ILE183 3.8 18.8 1.0
NH2 B:ARG179 3.8 23.4 1.0
CZ B:ARG179 4.0 23.0 1.0
CD1 B:ILE183 4.3 19.9 1.0
CD B:ARG179 4.4 20.0 1.0
OE1 B:GLU225 4.5 24.5 1.0
CZ B:ARG186 4.6 22.8 1.0
NE B:ARG186 4.9 23.0 1.0

Chlorine binding site 6 out of 6 in 5m27

Go back to Chlorine Binding Sites List in 5m27
Chlorine binding site 6 out of 6 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 6 of Structure of A Bacterial Light-Regulated Adenylyl Cylcase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:61.1
occ:1.00
 CB B:ALA302 3.8 31.8 1.0
CZ3 B:TRP304 3.9 21.3 1.0
CE3 B:TRP304 4.0 22.2 1.0
CH2 B:TRP304 4.0 20.8 1.0
CD2 B:TRP304 4.1 22.9 1.0
CZ2 B:TRP304 4.1 21.1 1.0
CE2 B:TRP304 4.2 21.8 1.0
NH2 B:ARG217 4.2 17.9 1.0
N B:GLN303 4.5 34.3 1.0
N B:TRP304 4.7 31.2 1.0
C B:GLN303 4.7 34.3 1.0
CG B:TRP304 4.8 24.6 1.0
O B:GLN303 4.9 35.3 1.0
NE1 B:TRP304 4.9 22.4 1.0
C B:ALA302 5.0 33.1 1.0
CA B:ALA302 5.0 31.8 1.0
NE B:ARG217 5.0 16.4 1.0

Reference:

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
Page generated: Fri Jul 26 12:22:22 2024

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