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Chlorine in PDB 7t8q: Crystal Structure of T151G CAO1

Protein crystallography data

The structure of Crystal Structure of T151G CAO1, PDB code: 7t8q was solved by A.Daruwalla, P.D.Kiser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.09 / 2.15
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 100.632, 100.632, 447.661, 90, 90, 120
R / Rfree (%) 19 / 21.1

Other elements in 7t8q:

The structure of Crystal Structure of T151G CAO1 also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of T151G CAO1 (pdb code 7t8q). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Crystal Structure of T151G CAO1, PDB code: 7t8q:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 7t8q

Go back to Chlorine Binding Sites List in 7t8q
Chlorine binding site 1 out of 10 in the Crystal Structure of T151G CAO1


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 T151G CAO1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:54.6
occ:1.00
 NH2 A:ARG112 3.0 50.2 1.0
N A:THR179 3.2 36.6 1.0
O A:HOH834 3.6 52.9 1.0
O A:THR179 3.7 36.1 1.0
O A:HOH767 3.8 32.1 1.0
CG A:GLU178 3.8 51.3 1.0
NE A:ARG112 3.8 45.5 1.0
CZ A:ARG112 3.9 47.8 1.0
CD A:ARG115 3.9 38.1 1.0
CA A:GLU178 4.0 41.6 1.0
CB A:THR179 4.0 36.6 1.0
CA A:THR179 4.0 37.2 1.0
CG A:ARG115 4.1 37.7 1.0
C A:GLU178 4.1 39.5 1.0
OG1 A:THR179 4.3 35.2 1.0
C A:THR179 4.4 37.0 1.0
CB A:ARG115 4.4 37.0 1.0
CB A:GLU178 4.4 45.5 1.0
NE A:ARG115 4.4 39.6 1.0

Chlorine binding site 2 out of 10 in 7t8q

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Chlorine binding site 2 out of 10 in the Crystal Structure of T151G CAO1


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 T151G CAO1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl603

b:70.7
occ:1.00
 N A:SER83 3.5 45.2 1.0
CB A:SER83 3.6 47.3 1.0
CD1 A:PHE37 4.1 45.6 1.0
CE1 A:PHE37 4.1 46.6 1.0
CG A:PRO79 4.1 38.7 1.0
CB A:PRO79 4.1 39.2 1.0
CG2 A:THR42 4.1 49.0 1.0
CA A:SER83 4.2 47.3 1.0
CA A:PRO82 4.4 44.0 1.0
C A:PRO82 4.4 43.9 1.0
O A:HOH716 4.5 53.6 1.0
CB A:ASP88 4.6 54.8 1.0
O A:LEU81 4.7 40.1 1.0
O A:HOH807 4.8 35.6 1.0
OG A:SER83 4.9 48.9 1.0

Chlorine binding site 3 out of 10 in 7t8q

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Chlorine binding site 3 out of 10 in the Crystal Structure of T151G CAO1


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 T151G CAO1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl604

b:60.4
occ:1.00
 O A:HOH824 2.9 42.2 1.0
O A:HOH943 3.1 43.8 1.0
N A:GLY508 3.2 40.3 1.0
O A:HOH713 3.2 43.1 1.0
NH2 A:ARG74 3.3 46.0 1.0
CA A:GLY452 3.5 42.1 1.0
CA A:GLY508 4.0 41.3 1.0
NE A:ARG74 4.0 45.1 1.0
CA A:PRO507 4.0 45.3 1.0
O A:GLY508 4.1 41.9 1.0
C A:PRO507 4.1 42.9 1.0
CZ A:ARG74 4.1 45.3 1.0
CD2 A:LEU473 4.2 46.4 1.0
N A:GLY452 4.2 42.5 1.0
C A:GLY508 4.3 41.5 1.0
O A:HOH715 4.4 41.9 1.0
CB A:LEU473 4.5 43.7 1.0
C A:GLY452 4.7 40.5 1.0
N A:GLU453 4.8 41.5 1.0
O A:ARG506 4.8 42.6 1.0
O A:LEU473 4.9 44.7 1.0
O A:HOH938 4.9 56.2 1.0
CB A:PRO507 4.9 45.5 1.0
CG A:LEU473 4.9 44.8 1.0

Chlorine binding site 4 out of 10 in 7t8q

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Chlorine binding site 4 out of 10 in the Crystal Structure of T151G CAO1


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 T151G CAO1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl602

b:56.1
occ:1.00
 O B:HOH932 3.0 55.3 1.0
NH2 B:ARG112 3.0 50.0 1.0
N B:THR179 3.2 38.7 1.0
O B:HOH985 3.6 63.9 1.0
O B:HOH764 3.7 33.2 1.0
NE B:ARG112 3.8 48.3 1.0
O B:THR179 3.8 37.5 1.0
CG B:GLU178 3.8 50.0 1.0
CZ B:ARG112 3.8 49.0 1.0
CD B:ARG115 3.9 38.3 1.0
CA B:GLU178 4.0 42.9 1.0
CB B:THR179 4.0 36.3 1.0
CA B:THR179 4.0 37.6 1.0
CG B:ARG115 4.0 37.4 1.0
C B:GLU178 4.1 39.9 1.0
OG1 B:THR179 4.3 35.6 1.0
C B:THR179 4.4 37.1 1.0
NE B:ARG115 4.4 38.8 1.0
CB B:ARG115 4.4 37.0 1.0
CB B:GLU178 4.4 45.8 1.0

Chlorine binding site 5 out of 10 in 7t8q

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Chlorine binding site 5 out of 10 in the Crystal Structure of T151G CAO1


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 T151G CAO1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl603

b:61.3
occ:1.00
 O B:HOH928 3.0 51.9 1.0
O B:HOH808 3.1 48.3 1.0
O B:HOH778 3.1 40.4 1.0
N B:GLY508 3.3 44.1 1.0
O B:HOH983 3.3 61.9 1.0
NH2 B:ARG74 3.4 43.1 1.0
CA B:GLY452 3.6 41.7 1.0
CA B:PRO507 4.0 46.1 1.0
NE B:ARG74 4.1 43.0 1.0
CA B:GLY508 4.1 43.5 1.0
CD2 B:LEU473 4.1 47.2 1.0
C B:PRO507 4.2 45.2 1.0
CZ B:ARG74 4.2 43.0 1.0
N B:GLY452 4.2 42.8 1.0
O B:GLY508 4.2 42.9 1.0
O B:HOH736 4.3 35.5 1.0
C B:GLY508 4.4 43.4 1.0
CB B:LEU473 4.4 44.5 1.0
O B:ARG506 4.7 45.4 1.0
O B:LEU473 4.8 44.0 1.0
C B:GLY452 4.8 40.3 1.0
CG B:LEU473 4.8 45.1 1.0
N B:GLU453 4.9 39.6 1.0
CB B:PRO507 4.9 45.8 1.0
O B:HOH792 4.9 40.3 1.0

Chlorine binding site 6 out of 10 in 7t8q

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Chlorine binding site 6 out of 10 in the Crystal Structure of T151G CAO1


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 T151G CAO1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl602

b:55.0
occ:1.00
 N C:THR179 3.1 39.6 1.0
NH2 C:ARG112 3.1 45.0 1.0
CG C:GLU178 3.6 46.9 1.0
O C:HOH745 3.6 51.0 1.0
O C:THR179 3.7 39.4 1.0
O C:HOH774 3.7 37.0 1.0
NE C:ARG112 3.8 43.8 1.0
CA C:GLU178 3.9 41.9 1.0
CZ C:ARG112 3.9 44.5 1.0
CB C:THR179 3.9 39.3 1.0
CA C:THR179 3.9 39.7 1.0
C C:GLU178 3.9 40.5 1.0
CD C:ARG115 4.0 38.2 1.0
CG C:ARG115 4.2 37.1 1.0
OG1 C:THR179 4.2 38.6 1.0
C C:THR179 4.3 39.2 1.0
CB C:GLU178 4.3 43.9 1.0
CB C:ARG115 4.5 36.3 1.0
NE C:ARG115 4.6 38.6 1.0
O C:HOH719 4.8 48.0 1.0
CD C:GLU178 4.9 48.9 1.0

Chlorine binding site 7 out of 10 in 7t8q

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Chlorine binding site 7 out of 10 in the Crystal Structure of T151G CAO1


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 T151G CAO1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl603

b:59.9
occ:1.00
 O C:HOH758 3.0 42.3 1.0
O C:HOH944 3.1 36.3 1.0
NH2 C:ARG74 3.3 48.1 1.0
N C:GLY508 3.3 44.2 1.0
O C:HOH756 3.4 43.9 1.0
CA C:GLY452 3.6 43.3 1.0
O C:HOH970 3.8 60.0 1.0
NE C:ARG74 4.0 47.4 1.0
CA C:PRO507 4.0 47.0 1.0
CD2 C:LEU473 4.0 44.2 1.0
CZ C:ARG74 4.1 47.0 1.0
CA C:GLY508 4.1 44.9 1.0
C C:PRO507 4.2 46.0 1.0
O C:GLY508 4.2 44.1 1.0
N C:GLY452 4.3 42.9 1.0
O C:HOH759 4.3 43.0 1.0
CB C:LEU473 4.4 40.3 1.0
C C:GLY508 4.4 44.7 1.0
O C:ARG506 4.7 42.5 1.0
CG C:LEU473 4.8 42.7 1.0
O C:LEU473 4.8 40.9 1.0
C C:GLY452 4.8 43.4 1.0
O C:HOH932 4.9 50.1 1.0
N C:GLU453 4.9 42.9 1.0
CB C:PRO507 5.0 48.3 1.0
O C:HOH736 5.0 40.9 1.0

Chlorine binding site 8 out of 10 in 7t8q

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Chlorine binding site 8 out of 10 in the Crystal Structure of T151G CAO1


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 T151G CAO1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl602

b:48.4
occ:1.00
 O D:HOH992 3.1 47.0 1.0
NH2 D:ARG112 3.2 47.8 1.0
N D:THR179 3.2 37.3 1.0
O D:THR179 3.6 40.6 1.0
O D:HOH759 3.8 33.2 1.0
CG D:GLU178 3.8 44.8 1.0
CB D:THR179 3.9 37.3 1.0
CD D:ARG115 4.0 37.2 1.0
NE D:ARG112 4.0 43.5 1.0
CA D:THR179 4.0 38.2 1.0
CA D:GLU178 4.0 39.2 1.0
CZ D:ARG112 4.0 45.1 1.0
CG D:ARG115 4.0 37.1 1.0
C D:GLU178 4.1 37.9 1.0
OG1 D:THR179 4.3 36.4 1.0
C D:THR179 4.3 38.5 1.0
CB D:ARG115 4.3 37.3 1.0
CB D:GLU178 4.5 41.7 1.0
NE D:ARG115 4.5 37.9 1.0

Chlorine binding site 9 out of 10 in 7t8q

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Chlorine binding site 9 out of 10 in the Crystal Structure of T151G CAO1


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 T151G CAO1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl603

b:86.3
occ:1.00
 O D:HOH799 3.5 55.4 1.0
N D:SER83 3.6 44.9 1.0
CB D:SER83 3.8 47.5 1.0
CG D:PRO79 4.0 41.0 1.0
CD1 D:PHE37 4.0 40.9 1.0
CE1 D:PHE37 4.0 40.6 1.0
CG2 D:THR42 4.0 45.7 1.0
CB D:PRO79 4.0 40.3 1.0
CA D:SER83 4.3 47.0 1.0
CA D:PRO82 4.4 43.4 1.0
C D:PRO82 4.5 43.9 1.0
CB D:ASP88 4.7 53.4 1.0
O D:LEU81 4.7 44.2 1.0

Chlorine binding site 10 out of 10 in 7t8q

Go back to Chlorine Binding Sites List in 7t8q
Chlorine binding site 10 out of 10 in the Crystal Structure of T151G CAO1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of T151G CAO1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl604

b:54.8
occ:1.00
 O D:HOH1012 3.1 54.5 1.0
O D:HOH823 3.1 43.5 1.0
O D:HOH984 3.1 39.8 1.0
N D:GLY508 3.2 38.0 1.0
NH2 D:ARG74 3.2 47.9 1.0
O D:HOH717 3.2 34.7 1.0
CA D:GLY452 3.6 39.2 1.0
NE D:ARG74 3.9 47.2 1.0
CA D:GLY508 4.0 39.0 1.0
CZ D:ARG74 4.0 46.9 1.0
CA D:PRO507 4.0 41.6 1.0
CD2 D:LEU473 4.1 43.9 1.0
C D:PRO507 4.1 40.2 1.0
O D:GLY508 4.2 38.5 1.0
N D:GLY452 4.3 40.1 1.0
C D:GLY508 4.3 39.5 1.0
O D:HOH1011 4.4 58.7 1.0
CB D:LEU473 4.5 40.7 1.0
O D:HOH750 4.5 33.3 1.0
O D:ARG506 4.7 40.9 1.0
O D:HOH882 4.8 38.5 1.0
C D:GLY452 4.8 39.3 1.0
O D:LEU473 4.8 40.7 1.0
CG D:LEU473 4.8 42.7 1.0
N D:GLU453 4.9 39.3 1.0
O D:HOH933 5.0 62.1 1.0
CB D:PRO507 5.0 41.9 1.0

Reference:

A.Daruwalla, P.D.Kiser. Crystal Structure of T151G CAO1 To Be Published.
Page generated: Tue Jul 30 04:31:44 2024

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