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Chlorine in PDB 3r4i: Crystal Structure of A Citrate Lyase (BXE_B2899) From Burkholderia Xenovorans LB400 at 2.24 A Resolution

Enzymatic activity of Crystal Structure of A Citrate Lyase (BXE_B2899) From Burkholderia Xenovorans LB400 at 2.24 A Resolution

All present enzymatic activity of Crystal Structure of A Citrate Lyase (BXE_B2899) From Burkholderia Xenovorans LB400 at 2.24 A Resolution:
4.1.3.6;

Protein crystallography data

The structure of Crystal Structure of A Citrate Lyase (BXE_B2899) From Burkholderia Xenovorans LB400 at 2.24 A Resolution, PDB code: 3r4i was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.60 / 2.24
Space group P 3
Cell size a, b, c (Å), α, β, γ (°) 148.468, 148.468, 79.570, 90.00, 90.00, 120.00
R / Rfree (%) 15.1 / 17.4

Other elements in 3r4i:

The structure of Crystal Structure of A Citrate Lyase (BXE_B2899) From Burkholderia Xenovorans LB400 at 2.24 A Resolution also contains other interesting chemical elements:

Calcium (Ca) 13 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Citrate Lyase (BXE_B2899) From Burkholderia Xenovorans LB400 at 2.24 A Resolution (pdb code 3r4i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of A Citrate Lyase (BXE_B2899) From Burkholderia Xenovorans LB400 at 2.24 A Resolution, PDB code: 3r4i:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 3r4i

Go back to Chlorine Binding Sites List in 3r4i
Chlorine binding site 1 out of 5 in the Crystal Structure of A Citrate Lyase (BXE_B2899) From Burkholderia Xenovorans LB400 at 2.24 A Resolution


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 A Citrate Lyase (BXE_B2899) From Burkholderia Xenovorans LB400 at 2.24 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl354

b:38.4
occ:1.00
 CA B:CA339 2.6 22.8 1.0
O B:HOH483 2.8 10.1 1.0
CA B:GLY174 3.3 21.2 1.0
C B:GLY174 3.3 24.4 1.0
O B:HOH432 3.3 19.2 1.0
N B:LEU175 3.5 27.1 1.0
N B:MSE176 3.5 25.4 1.0
N B:ASP177 3.5 33.1 1.0
OE1 B:GLU151 3.8 34.1 1.0
O B:GLY174 3.8 28.2 1.0
OD2 B:ASP177 3.8 39.4 1.0
CB B:MSE176 3.9 23.2 1.0
O B:HOH395 3.9 38.4 1.0
CA B:MSE176 4.0 25.7 1.0
CE B:MSE176 4.1 32.1 1.0
CB B:ASP177 4.1 23.1 1.0
C B:LEU175 4.3 30.7 1.0
C B:MSE176 4.3 24.4 1.0
CG B:ASP177 4.3 29.5 1.0
CA B:LEU175 4.4 25.5 1.0
CA B:ASP177 4.4 30.8 1.0
O B:HOH642 4.5 26.0 1.0
CG B:MSE176 4.7 25.6 1.0
N B:GLY174 4.7 31.0 1.0
CD B:GLU151 4.9 36.7 1.0

Chlorine binding site 2 out of 5 in 3r4i

Go back to Chlorine Binding Sites List in 3r4i
Chlorine binding site 2 out of 5 in the Crystal Structure of A Citrate Lyase (BXE_B2899) From Burkholderia Xenovorans LB400 at 2.24 A Resolution


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 A Citrate Lyase (BXE_B2899) From Burkholderia Xenovorans LB400 at 2.24 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl353

b:29.4
occ:1.00
 CA C:CA343 3.0 43.5 1.0
N C:ASP177 3.2 34.9 1.0
N C:MSE176 3.3 33.9 1.0
C C:GLY174 3.5 23.5 1.0
CB C:MSE176 3.5 25.1 1.0
CA C:GLY174 3.6 17.1 1.0
OD2 C:ASP177 3.6 32.5 1.0
N C:LEU175 3.7 23.6 1.0
CA C:MSE176 3.8 23.4 1.0
O C:HOH442 3.8 24.2 1.0
CB C:ASP177 3.9 18.9 1.0
C C:MSE176 3.9 29.8 1.0
O C:GLY174 4.0 31.3 1.0
OE1 C:GLU151 4.0 37.4 1.0
CE C:MSE176 4.0 30.3 1.0
CG C:ASP177 4.0 27.1 1.0
CA C:ASP177 4.1 28.6 1.0
C C:LEU175 4.2 30.5 1.0
O C:ACT357 4.3 15.7 1.0
CG C:MSE176 4.4 29.4 1.0
CA C:LEU175 4.5 20.8 1.0
O C:HOH602 4.6 21.2 1.0

Chlorine binding site 3 out of 5 in 3r4i

Go back to Chlorine Binding Sites List in 3r4i
Chlorine binding site 3 out of 5 in the Crystal Structure of A Citrate Lyase (BXE_B2899) From Burkholderia Xenovorans LB400 at 2.24 A Resolution


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 A Citrate Lyase (BXE_B2899) From Burkholderia Xenovorans LB400 at 2.24 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl352

b:25.7
occ:1.00
 CA D:CA342 2.9 29.0 1.0
N D:ASP177 3.1 34.0 1.0
O D:HOH453 3.2 9.0 1.0
N D:MSE176 3.3 26.7 1.0
CB D:MSE176 3.5 30.7 1.0
C D:GLY174 3.6 23.8 1.0
OD2 D:ASP177 3.6 35.1 1.0
CA D:GLY174 3.7 23.2 1.0
O D:HOH364 3.7 7.9 1.0
CA D:MSE176 3.7 30.1 1.0
N D:LEU175 3.7 24.8 1.0
CB D:ASP177 3.9 18.1 1.0
C D:MSE176 3.9 28.3 1.0
CE D:MSE176 3.9 36.5 1.0
O D:GLY174 4.0 30.2 1.0
CG D:ASP177 4.0 30.2 1.0
OE1 D:GLU151 4.0 34.6 1.0
CA D:ASP177 4.1 28.7 1.0
C D:LEU175 4.2 27.5 1.0
O D:HOH430 4.2 27.8 1.0
OXT D:ACT358 4.3 21.8 1.0
CG D:MSE176 4.3 26.9 1.0
CA D:LEU175 4.5 23.6 1.0
O D:ACT358 4.8 18.7 1.0
C D:ACT358 4.8 16.4 1.0
O D:HOH433 4.9 17.5 1.0
O D:HOH551 4.9 26.3 1.0
SE D:MSE176 4.9 38.5 0.8

Chlorine binding site 4 out of 5 in 3r4i

Go back to Chlorine Binding Sites List in 3r4i
Chlorine binding site 4 out of 5 in the Crystal Structure of A Citrate Lyase (BXE_B2899) From Burkholderia Xenovorans LB400 at 2.24 A Resolution


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 A Citrate Lyase (BXE_B2899) From Burkholderia Xenovorans LB400 at 2.24 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl355

b:30.6
occ:1.00
 CA E:CA348 3.1 43.9 1.0
N E:MSE176 3.2 34.4 1.0
N E:ASP177 3.3 35.6 1.0
C E:GLY174 3.3 27.9 1.0
CA E:GLY174 3.4 14.3 1.0
N E:LEU175 3.5 26.6 1.0
CB E:MSE176 3.6 28.2 1.0
CA E:MSE176 3.8 28.8 1.0
OD2 E:ASP177 3.8 31.9 1.0
O E:GLY174 3.8 33.0 1.0
O E:HOH463 4.0 25.3 1.0
CE E:MSE176 4.0 36.3 1.0
OE1 E:GLU151 4.0 39.5 1.0
C E:MSE176 4.0 34.4 1.0
CB E:ASP177 4.1 17.6 1.0
C E:LEU175 4.1 31.8 1.0
CA E:ASP177 4.3 29.8 1.0
CG E:ASP177 4.3 27.6 1.0
CA E:LEU175 4.3 21.1 1.0
CG E:MSE176 4.4 28.8 1.0
N E:GLY174 4.8 30.9 1.0

Chlorine binding site 5 out of 5 in 3r4i

Go back to Chlorine Binding Sites List in 3r4i
Chlorine binding site 5 out of 5 in the Crystal Structure of A Citrate Lyase (BXE_B2899) From Burkholderia Xenovorans LB400 at 2.24 A Resolution


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 A Citrate Lyase (BXE_B2899) From Burkholderia Xenovorans LB400 at 2.24 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl356

b:33.6
occ:1.00
 CA F:CA349 2.9 58.0 1.0
N F:ASP177 3.4 38.5 1.0
N F:MSE176 3.5 27.1 1.0
CA F:GLY174 3.6 25.6 1.0
C F:GLY174 3.6 26.4 1.0
OD2 F:ASP177 3.6 32.2 1.0
CB F:MSE176 3.8 30.7 1.0
N F:LEU175 3.8 29.8 1.0
OE1 F:GLU151 3.9 37.9 1.0
CE F:MSE176 3.9 39.0 1.0
CA F:MSE176 4.0 27.3 1.0
O F:GLY174 4.1 29.1 1.0
CB F:ASP177 4.1 24.5 1.0
CG F:ASP177 4.2 29.3 1.0
C F:MSE176 4.2 37.1 1.0
CA F:ASP177 4.4 31.9 1.0
C F:LEU175 4.4 29.5 1.0
CG F:MSE176 4.6 25.5 1.0
CA F:LEU175 4.6 22.9 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Fri Jul 11 09:42:29 2025

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