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Chlorine in PDB 5m2a: Structure of A Bacterial Light-Regulated Adenylyl Cylcase

Protein crystallography data

The structure of Structure of A Bacterial Light-Regulated Adenylyl Cylcase, PDB code: 5m2a 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) 44.36 / 1.80
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 47.700, 56.200, 78.000, 104.10, 103.90, 102.20
R / Rfree (%) 16.9 / 21.5

Other elements in 5m2a:

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

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of A Bacterial Light-Regulated Adenylyl Cylcase (pdb code 5m2a). 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: 5m2a:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 5m2a

Go back to Chlorine Binding Sites List in 5m2a
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:Cl401

b:29.1
occ:1.00
 N A:THR305 3.3 29.4 1.0
O A:HOH521 3.3 49.2 1.0
CG A:GLU328 3.4 42.2 1.0
N A:GLU328 3.4 24.4 1.0
N A:ASN327 3.5 24.1 1.0
CB A:VAL326 3.7 23.1 1.0
CB A:THR305 3.8 36.3 1.0
CB A:ASN327 3.9 26.7 1.0
O A:THR305 3.9 25.7 1.0
CB A:GLU328 4.0 30.0 1.0
CE3 A:TRP304 4.0 22.6 1.0
CA A:THR305 4.0 31.4 1.0
CA A:ASN327 4.0 24.0 1.0
C A:VAL326 4.2 23.8 1.0
C A:ASN327 4.2 22.2 1.0
CA A:TRP304 4.2 22.7 1.0
C A:TRP304 4.3 27.1 1.0
OG1 A:THR305 4.3 41.4 1.0
C A:THR305 4.3 30.8 1.0
CA A:GLU328 4.3 25.0 1.0
CA A:VAL326 4.3 24.1 1.0
CG2 A:VAL326 4.4 21.7 1.0
CD A:GLU328 4.5 47.9 1.0
CB A:TRP304 4.5 24.6 1.0
OE2 A:GLU328 4.5 56.4 1.0
CG1 A:VAL326 4.6 20.3 1.0
CZ3 A:TRP304 4.8 21.3 1.0
CD2 A:TRP304 4.9 25.5 1.0

Chlorine binding site 2 out of 6 in 5m2a

Go back to Chlorine Binding Sites List in 5m2a
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:Cl402

b:50.9
occ:1.00
 N A:GLY45 3.0 38.9 1.0
ND2 A:ASN99 3.4 48.8 1.0
N A:GLN44 3.6 40.7 1.0
CA A:GLY45 3.7 38.2 1.0
CD1 A:ILE11 3.7 40.0 1.0
CD2 A:TYR42 3.9 46.6 1.0
C A:GLN44 4.0 39.4 1.0
O A:HOH652 4.0 57.5 1.0
CA A:GLN44 4.0 41.8 1.0
C A:LEU43 4.2 34.5 1.0
CG A:ASN99 4.3 49.1 1.0
OD1 A:ASN99 4.4 46.3 1.0
N A:LEU43 4.4 32.1 1.0
CA A:LEU43 4.6 32.7 1.0
CE2 A:TYR42 4.6 46.7 1.0
C A:GLY45 4.6 37.5 1.0
N A:LEU46 4.6 35.5 1.0
CB A:TYR42 4.7 34.2 1.0
CG A:TYR42 4.8 40.3 1.0
O A:LEU43 4.8 38.3 1.0
C A:TYR42 4.9 33.5 1.0

Chlorine binding site 3 out of 6 in 5m2a

Go back to Chlorine Binding Sites List in 5m2a
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:Cl403

b:31.1
occ:1.00
 O A:HOH581 2.9 26.4 1.0
O A:HOH597 3.1 27.7 1.0
NH2 A:ARG230 3.2 24.9 1.0
CE1 A:TYR332 3.4 50.2 1.0
CE2 A:TYR333 3.8 29.6 1.0
CD1 A:TYR332 3.8 51.0 1.0
CG2 A:ILE223 4.0 20.5 1.0
CB A:LYS227 4.1 20.5 1.0
CD A:LYS227 4.1 32.5 1.0
CZ A:ARG230 4.2 22.7 1.0
CG A:LYS227 4.2 24.0 1.0
O A:HOH622 4.2 23.3 1.0
O A:HOH644 4.3 30.4 1.0
NH1 A:ARG230 4.4 21.0 1.0
O A:HOH712 4.4 52.7 1.0
CD2 A:TYR333 4.5 29.3 1.0
CZ A:TYR332 4.6 50.8 1.0
O A:ILE223 4.6 18.4 1.0
CZ A:TYR333 4.8 30.3 1.0
OH A:TYR333 4.8 29.3 1.0
OH A:TYR332 4.8 49.1 1.0
CA A:LYS227 4.9 21.8 1.0
CD2 A:TYR243 4.9 25.2 1.0

Chlorine binding site 4 out of 6 in 5m2a

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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:Cl401

b:30.3
occ:1.00
 O B:HOH592 3.2 42.5 1.0
CG B:GLU328 3.3 37.9 0.5
N B:THR305 3.3 29.2 1.0
OE2 B:GLU328 3.3 38.3 0.5
N B:ASN327 3.5 21.4 1.0
N B:GLU328 3.5 26.4 1.0
CD B:GLU328 3.7 39.8 0.5
CB B:VAL326 3.8 25.8 1.0
CB B:ASN327 3.8 23.5 1.0
CB B:THR305 3.9 30.9 1.0
O B:HOH594 3.9 42.0 1.0
O B:THR305 4.0 28.5 1.0
CA B:ASN327 4.0 25.0 1.0
CB B:GLU328 4.0 31.6 0.5
CB B:GLU328 4.0 31.6 0.5
CE3 B:TRP304 4.0 19.6 1.0
CA B:THR305 4.1 28.0 1.0
C B:VAL326 4.2 22.0 1.0
C B:ASN327 4.2 27.5 1.0
CA B:TRP304 4.3 27.2 1.0
C B:TRP304 4.3 27.7 1.0
CG2 B:VAL326 4.3 23.6 1.0
OG1 B:THR305 4.4 34.0 1.0
CA B:GLU328 4.4 27.8 0.5
CA B:GLU328 4.4 27.8 0.5
C B:THR305 4.4 32.1 1.0
CA B:VAL326 4.4 24.9 1.0
CB B:TRP304 4.5 22.9 1.0
CG1 B:VAL326 4.7 23.0 1.0
CZ3 B:TRP304 4.8 23.5 1.0
OE1 B:GLU328 4.8 43.6 0.5
OE1 B:GLU328 4.9 44.0 0.5
CD2 B:TRP304 5.0 24.2 1.0

Chlorine binding site 5 out of 6 in 5m2a

Go back to Chlorine Binding Sites List in 5m2a
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:40.9
occ:1.00
 O B:HOH650 2.7 45.0 1.0
NE B:ARG284 3.0 48.4 1.0
N B:ALA160 3.1 19.2 1.0
NH2 B:ARG284 3.3 38.0 1.0
CZ B:ARG284 3.5 46.0 1.0
O B:HOH647 3.6 45.4 1.0
CA B:ALA160 3.9 23.9 1.0
CA B:LEU159 4.0 18.8 1.0
C B:LEU159 4.0 18.4 1.0
CG B:ARG284 4.0 43.4 1.0
CD1 B:LEU159 4.0 24.5 1.0
CD B:ARG284 4.1 46.4 1.0
O B:ILE158 4.2 19.5 1.0
O B:HOH504 4.5 26.4 1.0
N B:PHE161 4.6 19.7 1.0
CG B:LEU159 4.7 24.2 1.0
C B:ALA160 4.8 21.8 1.0
NH1 B:ARG284 4.8 49.9 1.0
CB B:LEU159 4.9 19.1 1.0
C B:ILE158 5.0 18.8 1.0

Chlorine binding site 6 out of 6 in 5m2a

Go back to Chlorine Binding Sites List in 5m2a
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:31.2
occ:1.00
 O B:HOH735 2.8 41.8 1.0
O B:HOH599 2.9 23.1 1.0
O B:HOH587 3.1 30.8 1.0
CE1 B:TYR332 3.3 49.4 1.0
NH2 B:ARG230 3.3 28.8 1.0
CD1 B:TYR332 3.8 53.6 1.0
CE2 B:TYR333 3.8 30.0 1.0
CG2 B:ILE223 4.0 19.6 1.0
CD B:LYS227 4.2 25.7 1.0
CB B:LYS227 4.2 19.0 1.0
O B:HOH636 4.3 21.6 1.0
CZ B:ARG230 4.4 22.4 1.0
O B:HOH637 4.4 30.6 1.0
CZ B:TYR332 4.4 51.9 1.0
CG B:LYS227 4.4 25.4 1.0
CD2 B:TYR333 4.5 30.8 1.0
NH1 B:ARG230 4.5 18.8 1.0
O B:ILE223 4.6 20.1 1.0
OH B:TYR332 4.7 46.2 1.0
CZ B:TYR333 4.8 27.0 1.0
OH B:TYR333 4.9 27.7 1.0
CD2 B:TYR243 5.0 23.7 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 12:23:14 2024

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