Chlorine in PDB 7sws: Crystal Structure of the Chromoprotein Amilcp

Protein crystallography data

The structure of Crystal Structure of the Chromoprotein Amilcp, PDB code: 7sws was solved by A.T.Caputo, J.Newman, C.Scott, H.Ahmed, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 92.03 / 1.64
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 71.524, 131.742, 93.671, 90, 100.75, 90
R / Rfree (%) 19.4 / 21.8

Other elements in 7sws:

The structure of Crystal Structure of the Chromoprotein Amilcp also contains other interesting chemical elements:

Bromine (Br) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Chromoprotein Amilcp (pdb code 7sws). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Crystal Structure of the Chromoprotein Amilcp, PDB code: 7sws:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 7sws

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Chlorine binding site 1 out of 9 in the Crystal Structure of the Chromoprotein Amilcp


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 the Chromoprotein Amilcp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:38.1
occ:1.00
H A:GLY151 2.1 13.1 0.0
HG3 A:MET185 2.6 14.8 0.0
HE2 A:MET185 3.0 22.6 0.0
N A:GLY151 3.1 14.8 1.0
HB1 A:ALA148 3.2 12.4 0.0
H A:ASP150 3.3 14.5 0.0
HA2 A:GLY151 3.3 12.7 0.0
CL B:CL301 3.5 36.4 1.0
N A:ASP150 3.5 16.1 1.0
O A:HOH537 3.6 30.8 1.0
CG A:MET185 3.7 15.7 1.0
CA A:GLY151 3.8 14.2 1.0
HA A:ARG149 3.8 12.0 0.0
C A:ARG149 3.9 15.1 1.0
HA A:ASP150 4.0 14.4 0.0
CE A:MET185 4.0 24.3 1.0
N A:ARG149 4.0 12.9 1.0
C A:ASP150 4.1 15.6 1.0
CA A:ASP150 4.1 16.0 1.0
H B:GLY151 4.1 12.5 0.0
CA A:ARG149 4.1 13.8 1.0
H A:ARG149 4.2 10.6 0.0
HA B:ASP150 4.2 13.1 0.0
CB A:ALA148 4.2 13.9 1.0
HG2 A:MET185 4.3 15.3 0.0
HB3 A:MET185 4.3 13.1 0.0
C A:ALA148 4.4 12.4 1.0
SD A:MET185 4.4 18.1 1.0
HE3 A:MET185 4.4 22.8 0.0
HB3 A:ALA148 4.5 12.7 0.0
H A:MET152 4.5 10.9 0.0
CB A:MET185 4.5 13.9 1.0
O A:ARG149 4.5 15.1 1.0
HB2 A:MET185 4.6 13.8 0.0
HA3 A:GLY151 4.6 12.5 0.0
N B:GLY151 4.7 14.3 1.0
HG3 B:MET185 4.7 15.3 0.0
C A:GLY151 4.7 14.2 1.0
O A:ALA148 4.7 11.3 1.0
HE1 A:MET185 4.7 22.4 0.0
O B:HOH498 4.8 33.1 1.0
CA A:ALA148 4.9 13.5 1.0
HA2 B:GLY151 4.9 13.1 0.0
H B:ASP150 4.9 12.7 0.0
N A:MET152 4.9 13.2 1.0
HB2 A:ALA148 5.0 12.5 0.0

Chlorine binding site 2 out of 9 in 7sws

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Chlorine binding site 2 out of 9 in the Crystal Structure of the Chromoprotein Amilcp


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 the Chromoprotein Amilcp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:36.4
occ:1.00
H B:GLY151 2.4 12.5 0.0
HG3 B:MET185 2.6 15.3 0.0
HB1 B:ALA148 3.0 13.4 0.0
HE2 B:MET185 3.1 22.0 0.0
N B:GLY151 3.4 14.3 1.0
H B:ASP150 3.5 12.7 0.0
CL A:CL301 3.5 38.1 1.0
HA2 B:GLY151 3.6 13.1 0.0
CG B:MET185 3.6 16.3 1.0
N B:ASP150 3.7 14.8 1.0
HA B:ARG149 3.9 11.4 0.0
O B:HOH498 4.0 33.1 1.0
CB B:ALA148 4.0 15.0 1.0
C B:ARG149 4.1 14.0 1.0
CE B:MET185 4.1 23.5 1.0
CA B:GLY151 4.1 14.5 1.0
H A:GLY151 4.1 13.1 0.0
N B:ARG149 4.1 13.9 1.0
HB3 B:ALA148 4.1 13.5 0.0
HA B:ASP150 4.2 13.1 0.0
HB3 B:MET185 4.2 15.6 0.0
HA A:ASP150 4.2 14.4 0.0
HG2 B:MET185 4.2 15.8 0.0
O A:HOH537 4.2 30.8 1.0
CA B:ARG149 4.3 13.6 1.0
CA B:ASP150 4.3 15.1 1.0
H B:ARG149 4.3 11.8 0.0
C B:ALA148 4.3 14.4 1.0
HB2 B:MET185 4.3 16.0 0.0
CB B:MET185 4.3 16.5 1.0
C B:ASP150 4.3 15.7 1.0
HE3 B:MET185 4.4 22.2 0.0
SD B:MET185 4.5 19.5 1.0
N A:GLY151 4.6 14.8 1.0
O B:ALA148 4.7 14.2 1.0
CA B:ALA148 4.7 14.9 1.0
H A:ASP150 4.7 14.5 0.0
HB2 B:ALA148 4.8 13.6 0.0
O B:ARG149 4.8 13.6 1.0
HG3 A:MET185 4.8 14.8 0.0
HA3 B:GLY151 4.9 13.0 0.0
HE1 B:MET185 4.9 22.1 0.0
HA2 A:GLY151 4.9 12.7 0.0
H B:MET152 4.9 11.4 0.0
HA B:ALA148 5.0 13.1 0.0
C B:GLY151 5.0 14.7 1.0

Chlorine binding site 3 out of 9 in 7sws

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Chlorine binding site 3 out of 9 in the Crystal Structure of the Chromoprotein Amilcp


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 the Chromoprotein Amilcp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:26.5
occ:1.00
H C:GLY151 2.2 18.9 0.0
HG3 C:MET185 2.7 18.2 0.0
HB1 C:ALA148 3.0 14.7 0.0
HE2 C:MET185 3.1 14.6 0.0
N C:GLY151 3.2 16.8 1.0
H C:ASP150 3.4 19.4 0.0
HA2 C:GLY151 3.5 19.6 0.0
N C:ASP150 3.6 16.9 1.0
HA C:ARG149 3.7 16.3 0.0
CG C:MET185 3.8 16.8 1.0
O C:HOH488 3.8 27.6 1.0
C C:ARG149 3.9 16.4 1.0
N C:ARG149 4.0 15.1 1.0
CA C:GLY151 4.0 17.4 1.0
CB C:ALA148 4.0 14.6 1.0
HB3 C:ALA148 4.1 14.5 0.0
CE C:MET185 4.1 14.1 1.0
CA C:ARG149 4.1 15.2 1.0
HA C:ASP150 4.1 21.7 0.0
H C:ARG149 4.2 15.0 0.0
C C:ASP150 4.2 17.5 1.0
CA C:ASP150 4.2 18.0 1.0
C C:ALA148 4.2 15.5 1.0
HB3 C:MET185 4.2 16.7 0.0
HG2 C:MET185 4.4 18.6 0.0
HE3 C:MET185 4.4 13.9 0.0
CB C:MET185 4.5 16.4 1.0
HB2 C:MET185 4.5 17.5 0.0
O C:ALA148 4.5 16.5 1.0
H C:MET152 4.6 17.1 0.0
SD C:MET185 4.6 19.2 1.0
O C:ARG149 4.6 17.1 1.0
CA C:ALA148 4.7 14.5 1.0
HB2 C:ALA148 4.8 14.0 0.0
HA3 C:GLY151 4.8 20.4 0.0
HE1 C:MET185 4.9 14.2 0.0
HA C:ALA148 4.9 13.6 0.0
C C:GLY151 4.9 16.6 1.0

Chlorine binding site 4 out of 9 in 7sws

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Chlorine binding site 4 out of 9 in the Crystal Structure of the Chromoprotein Amilcp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Chromoprotein Amilcp within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:26.3
occ:1.00
H D:GLY151 2.1 22.3 0.0
HG3 D:MET185 2.7 22.0 0.0
HB1 D:ALA148 3.0 19.5 0.0
HE2 D:MET185 3.0 17.0 0.0
N D:GLY151 3.1 19.1 1.0
H D:ASP150 3.3 22.7 0.0
HA2 D:GLY151 3.5 22.3 0.0
N D:ASP150 3.5 19.1 1.0
O D:HOH527 3.6 21.3 1.0
HA D:ARG149 3.7 19.6 0.0
CG D:MET185 3.8 19.0 1.0
CA D:GLY151 3.9 19.2 1.0
C D:ARG149 3.9 17.5 1.0
N D:ARG149 3.9 17.0 1.0
CB D:ALA148 4.0 17.6 1.0
CE D:MET185 4.0 15.1 1.0
CA D:ARG149 4.1 16.9 1.0
H D:ARG149 4.1 18.4 0.0
HA D:ASP150 4.1 24.5 0.0
HB3 D:ALA148 4.1 19.6 0.0
C D:ASP150 4.1 19.9 1.0
CA D:ASP150 4.2 20.1 1.0
C D:ALA148 4.2 17.9 1.0
HB3 D:MET185 4.2 19.5 0.0
HE3 D:MET185 4.4 16.5 0.0
HG2 D:MET185 4.4 22.4 0.0
H D:MET152 4.5 19.3 0.0
CB D:MET185 4.5 17.3 1.0
HB2 D:MET185 4.5 20.4 0.0
SD D:MET185 4.5 17.9 1.0
O D:ALA148 4.5 18.6 1.0
O D:ARG149 4.6 17.3 1.0
CA D:ALA148 4.6 17.5 1.0
HA3 D:GLY151 4.7 22.8 0.0
HB2 D:ALA148 4.7 19.0 0.0
C D:GLY151 4.8 18.4 1.0
HE1 D:MET185 4.8 16.4 0.0
HA D:ALA148 4.8 18.3 0.0
N D:MET152 4.9 17.3 1.0

Chlorine binding site 5 out of 9 in 7sws

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Chlorine binding site 5 out of 9 in the Crystal Structure of the Chromoprotein Amilcp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Chromoprotein Amilcp within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl301

b:15.9
occ:1.00
H E:GLY151 2.3 14.9 0.0
HG3 E:MET185 2.7 18.1 0.0
HB1 E:ALA148 2.9 13.8 0.0
HE2 E:MET185 3.1 11.1 0.0
N E:GLY151 3.3 16.1 1.0
H E:ASP150 3.4 15.6 0.0
HA2 E:GLY151 3.6 15.4 0.0
N E:ASP150 3.6 16.7 1.0
HA E:ARG149 3.7 14.0 0.0
CG E:MET185 3.8 18.6 1.0
CB E:ALA148 3.9 15.1 1.0
N E:ARG149 3.9 16.5 1.0
C E:ARG149 3.9 15.4 1.0
CA E:GLY151 4.0 16.4 1.0
HB3 E:ALA148 4.0 14.1 0.0
O E:HOH455 4.1 15.6 1.0
CE E:MET185 4.1 12.4 1.0
CA E:ARG149 4.1 15.7 1.0
H E:ARG149 4.1 14.1 0.0
C E:ALA148 4.1 17.2 1.0
HB3 E:MET185 4.2 17.4 0.0
HA E:ASP150 4.2 17.8 0.0
C E:ASP150 4.2 17.1 1.0
CA E:ASP150 4.3 18.6 1.0
HG2 E:MET185 4.4 18.8 0.0
HE3 E:MET185 4.4 11.2 0.0
CB E:MET185 4.4 18.0 1.0
HB2 E:MET185 4.5 18.2 0.0
O E:ALA148 4.5 17.8 1.0
H E:MET152 4.6 12.3 0.0
SD E:MET185 4.6 16.9 1.0
CA E:ALA148 4.6 15.7 1.0
O E:ARG149 4.7 14.6 1.0
HB2 E:ALA148 4.7 13.9 0.0
HA3 E:GLY151 4.8 15.5 0.0
HA E:ALA148 4.8 13.5 0.0
HE1 E:MET185 4.9 10.9 0.0
C E:GLY151 4.9 16.0 1.0

Chlorine binding site 6 out of 9 in 7sws

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Chlorine binding site 6 out of 9 in the Crystal Structure of the Chromoprotein Amilcp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Chromoprotein Amilcp within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl301

b:15.1
occ:1.00
H F:GLY151 2.4 20.3 0.0
HG3 F:MET185 2.7 23.0 0.0
HB1 F:ALA148 3.1 18.2 0.0
HE2 F:MET185 3.3 16.5 0.0
N F:GLY151 3.4 18.6 1.0
O F:HOH531 3.5 27.7 1.0
H F:ASP150 3.5 18.9 0.0
HA2 F:GLY151 3.7 20.2 0.0
N F:ASP150 3.7 17.1 1.0
CG F:MET185 3.8 21.2 1.0
HA F:ARG149 3.9 17.6 0.0
CB F:ALA148 4.0 17.4 1.0
HB3 F:ALA148 4.1 18.4 0.0
C F:ARG149 4.1 16.3 1.0
CA F:GLY151 4.1 18.6 1.0
N F:ARG149 4.1 17.0 1.0
CE F:MET185 4.2 15.7 1.0
HA F:ASP150 4.2 21.4 0.0
HB3 F:MET185 4.2 22.1 0.0
CA F:ARG149 4.3 16.5 1.0
C F:ALA148 4.3 17.8 1.0
CA F:ASP150 4.4 19.0 1.0
C F:ASP150 4.4 19.3 1.0
H F:ARG149 4.4 17.2 0.0
HG2 F:MET185 4.4 23.5 0.0
HB2 F:MET185 4.4 22.9 0.0
CB F:MET185 4.5 20.7 1.0
HE3 F:MET185 4.5 16.3 0.0
SD F:MET185 4.6 19.1 1.0
O F:ALA148 4.6 18.0 1.0
CA F:ALA148 4.8 17.5 1.0
H F:MET152 4.8 17.3 0.0
HB2 F:ALA148 4.8 18.0 0.0
O F:ARG149 4.8 15.2 1.0
HA3 F:GLY151 4.9 20.5 0.0

Chlorine binding site 7 out of 9 in 7sws

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Chlorine binding site 7 out of 9 in the Crystal Structure of the Chromoprotein Amilcp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Chromoprotein Amilcp within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl301

b:33.5
occ:1.00
H G:GLY151 2.2 38.9 0.0
HG3 G:MET185 2.7 51.1 0.0
HB1 G:ALA148 3.0 37.1 0.0
HE2 G:MET185 3.1 49.9 0.0
N G:GLY151 3.2 31.1 1.0
H G:ASP150 3.4 36.5 0.0
HA2 G:GLY151 3.5 40.3 0.0
N G:ASP150 3.6 30.9 1.0
CG G:MET185 3.8 41.1 1.0
HA G:ARG149 3.8 33.2 0.0
CA G:GLY151 3.9 30.6 1.0
C G:ARG149 3.9 30.0 1.0
N G:ARG149 4.0 29.3 1.0
CB G:ALA148 4.0 30.4 1.0
CE G:MET185 4.1 42.2 1.0
HB3 G:ALA148 4.1 36.5 0.0
CA G:ARG149 4.1 29.1 1.0
HA G:ASP150 4.1 39.4 0.0
H G:ARG149 4.2 33.5 0.0
C G:ASP150 4.2 32.1 1.0
C G:ALA148 4.2 29.4 1.0
HB3 G:MET185 4.2 48.7 0.0
CA G:ASP150 4.2 32.2 1.0
HG2 G:MET185 4.3 53.3 0.0
HE3 G:MET185 4.4 49.9 0.0
CB G:MET185 4.4 39.5 1.0
HB2 G:MET185 4.5 50.6 0.0
SD G:MET185 4.5 43.8 1.0
H G:MET152 4.6 35.1 0.0
O G:ALA148 4.6 29.5 1.0
O G:ARG149 4.6 29.9 1.0
CA G:ALA148 4.7 29.5 1.0
HB2 G:ALA148 4.8 36.9 0.0
HA3 G:GLY151 4.8 40.5 0.0
HE1 G:MET185 4.8 49.8 0.0
C G:GLY151 4.9 30.3 1.0
HA G:ALA148 4.9 34.1 0.0
N G:MET152 5.0 29.3 1.0

Chlorine binding site 8 out of 9 in 7sws

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Chlorine binding site 8 out of 9 in the Crystal Structure of the Chromoprotein Amilcp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Chromoprotein Amilcp within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl301

b:27.5
occ:1.00
H H:GLY151 2.2 29.9 0.0
HG3 H:MET185 2.7 34.0 0.0
HB1 H:ALA148 3.0 27.1 0.0
HE2 H:MET185 3.1 30.6 0.0
N H:GLY151 3.2 24.9 1.0
H H:ASP150 3.4 29.3 0.0
HA2 H:GLY151 3.5 30.0 0.0
N H:ASP150 3.6 24.8 1.0
HA H:ARG149 3.8 26.1 0.0
CG H:MET185 3.8 28.5 1.0
N H:ARG149 4.0 22.7 1.0
CA H:GLY151 4.0 24.5 1.0
C H:ARG149 4.0 23.7 1.0
CB H:ALA148 4.0 23.4 1.0
HB3 H:ALA148 4.1 26.9 0.0
CE H:MET185 4.1 26.5 1.0
CA H:ARG149 4.1 22.6 1.0
HA H:ASP150 4.2 32.1 0.0
H H:ARG149 4.2 25.4 0.0
C H:ALA148 4.2 23.3 1.0
C H:ASP150 4.2 26.0 1.0
HB3 H:MET185 4.2 32.8 0.0
CA H:ASP150 4.2 26.5 1.0
HG2 H:MET185 4.4 35.0 0.0
HE3 H:MET185 4.4 30.3 0.0
CB H:MET185 4.5 28.1 1.0
HB2 H:MET185 4.5 34.0 0.0
O H:ALA148 4.5 23.8 1.0
SD H:MET185 4.6 31.8 1.0
H H:MET152 4.6 24.6 0.0
CA H:ALA148 4.7 22.8 1.0
O H:ARG149 4.7 22.8 1.0
HB2 H:ALA148 4.8 26.7 0.0
HA3 H:GLY151 4.8 30.3 0.0
HE1 H:MET185 4.9 30.2 0.0
C H:GLY151 4.9 23.1 1.0
HA H:ALA148 4.9 25.2 0.0

Chlorine binding site 9 out of 9 in 7sws

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Chlorine binding site 9 out of 9 in the Crystal Structure of the Chromoprotein Amilcp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Chromoprotein Amilcp within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl302

b:16.4
occ:1.00
H H:TRP54 2.4 15.6 0.0
HA H:ALA53 2.9 17.4 0.0
O H:HOH496 3.1 19.0 1.0
HD3 H:LYS134 3.2 32.1 0.0
HB3 H:LYS134 3.3 20.6 0.0
O H:HOH491 3.3 18.5 1.0
N H:TRP54 3.4 16.3 1.0
O H:HOH480 3.5 18.1 1.0
HD2 H:LYS134 3.6 32.5 0.0
HB3 H:TRP54 3.6 17.0 0.0
HB2 H:TRP54 3.8 17.4 0.0
CD H:LYS134 3.8 31.9 1.0
CA H:ALA53 3.9 18.2 1.0
CD1 H:TYR204 4.0 30.4 1.0
CB H:TRP54 4.1 17.7 1.0
CG H:TYR204 4.1 29.1 1.0
CE1 H:TYR204 4.1 31.9 1.0
C H:ALA53 4.2 16.6 1.0
CB H:LYS134 4.2 20.4 1.0
HD1 H:TYR204 4.2 31.7 0.0
HB2 H:TYR204 4.2 28.3 0.0
HG2 H:LYS134 4.3 25.2 0.0
O H:PHE52 4.3 19.7 1.0
CD2 H:TYR204 4.3 30.6 1.0
CA H:TRP54 4.4 16.9 1.0
CG H:LYS134 4.4 25.4 1.0
CZ H:TYR204 4.4 33.3 1.0
CE2 H:TYR204 4.5 32.0 1.0
HE1 H:TYR204 4.5 33.1 0.0
H H:ASP55 4.5 13.6 0.0
O H:HOH503 4.5 28.3 1.0
HB1 H:ALA53 4.6 17.1 0.0
CB H:TYR204 4.7 27.4 1.0
HZ3 H:LYS134 4.7 37.8 0.0
HA H:LYS134 4.7 17.1 0.0
HB3 H:TYR204 4.8 28.0 0.0
N H:ALA53 4.8 17.9 1.0
CB H:ALA53 4.8 18.5 1.0
C H:PHE52 4.9 18.9 1.0
HD2 H:TYR204 4.9 30.9 0.0
HB2 H:ALA53 4.9 17.4 0.0
HB2 H:LYS134 4.9 21.1 0.0

Reference:

F.H.Ahmed, A.T.Caputo, N.G.French, T.S.Peat, J.Whitfield, A.C.Warden, J.Newman, C.Scott. Over the Rainbow: Structural Characterization of the Chromoproteins Gfaspurple, Amilcp, Spispink and Eforred. Acta Crystallogr D Struct V. 78 599 2022BIOL.
ISSN: ISSN 2059-7983
PubMed: 35503208
DOI: 10.1107/S2059798322002625
Page generated: Tue Jul 30 04:18:40 2024

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