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Chlorine in PDB 4ovf: E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-2-Carboxylic Acid

Enzymatic activity of E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-2-Carboxylic Acid

All present enzymatic activity of E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-2-Carboxylic Acid:
2.7.7.7;

Protein crystallography data

The structure of E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-2-Carboxylic Acid, PDB code: 4ovf was solved by Z.Yin, A.J.Oakley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.61 / 2.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 79.868, 67.258, 81.192, 90.00, 114.27, 90.00
R / Rfree (%) 21 / 27

Other elements in 4ovf:

The structure of E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-2-Carboxylic Acid also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-2-Carboxylic Acid (pdb code 4ovf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-2-Carboxylic Acid, PDB code: 4ovf:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4ovf

Go back to Chlorine Binding Sites List in 4ovf
Chlorine binding site 1 out of 3 in the E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-2-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl407

b:21.0
occ:0.70
CL A:2VG407 0.0 21.0 0.7
C4 A:2VG407 1.8 21.4 0.7
C5 A:2VG407 2.7 21.8 0.7
C3 A:2VG407 2.8 21.4 0.7
CG1 A:VAL247 3.4 23.8 1.0
CA A:ARG176 3.5 16.5 1.0
C A:ARG176 3.5 15.8 1.0
N A:LEU177 3.6 14.6 1.0
N A:ARG176 3.7 17.8 1.0
O A:HIS175 3.8 19.9 1.0
O A:VAL360 3.8 18.6 1.0
C A:HIS175 3.8 19.7 1.0
CB A:LEU177 3.8 13.7 1.0
C6 A:2VG407 4.0 22.0 0.7
CG1 A:VAL360 4.1 18.4 1.0
C2 A:2VG407 4.1 21.8 0.7
O A:ARG176 4.1 15.7 1.0
CG A:MET362 4.3 29.6 1.0
CA A:LEU177 4.3 14.1 1.0
OG1 A:THR172 4.4 15.6 1.0
C A:VAL360 4.4 19.0 1.0
CB A:VAL360 4.4 18.4 1.0
C1 A:2VG407 4.6 21.9 0.7
CA A:HIS175 4.8 20.8 1.0
CB A:VAL247 4.8 24.3 1.0
O A:GLY174 4.8 22.1 1.0
N A:HIS175 4.9 21.3 1.0
CB A:ARG176 4.9 16.4 1.0
C A:GLY174 4.9 21.4 1.0
N A:MET362 4.9 22.7 1.0

Chlorine binding site 2 out of 3 in 4ovf

Go back to Chlorine Binding Sites List in 4ovf
Chlorine binding site 2 out of 3 in the E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-2-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:50.4
occ:1.00
O B:GLU301 4.0 20.5 1.0
CB B:GLU301 4.1 23.6 1.0
O B:HOH628 4.2 25.1 1.0
CB A:ARG105 4.3 22.7 1.0
CB A:SER107 4.3 18.9 1.0
O A:ARG105 4.3 19.4 1.0
C B:GLU301 4.4 21.0 1.0
C A:ARG105 4.4 19.7 1.0
NE A:ARG105 4.5 30.6 1.0
N A:SER107 4.6 17.7 1.0
CB B:GLU303 4.6 18.7 1.0
N A:PHE106 4.6 18.6 1.0
C A:PHE106 4.7 18.0 1.0
O A:HOH645 4.8 41.2 1.0
N B:GLU303 4.8 18.2 1.0
OE2 B:GLU301 4.8 27.4 1.0
CA A:PHE106 4.8 17.9 1.0
O B:HOH764 4.8 29.1 1.0
C B:ALA302 4.9 18.7 1.0
N B:ALA302 4.9 19.5 1.0
CA B:GLU301 4.9 21.7 1.0
NH2 A:ARG105 5.0 32.8 1.0

Chlorine binding site 3 out of 3 in 4ovf

Go back to Chlorine Binding Sites List in 4ovf
Chlorine binding site 3 out of 3 in the E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-2-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl405

b:23.5
occ:0.70
CL B:2VG405 0.0 23.5 0.7
C4 B:2VG405 1.8 23.0 0.7
C3 B:2VG405 2.7 22.9 0.7
C5 B:2VG405 2.8 22.9 0.7
C B:ARG176 3.5 17.6 1.0
CA B:ARG176 3.6 18.2 1.0
CB B:LEU177 3.6 17.3 1.0
N B:LEU177 3.7 17.1 1.0
O B:HIS175 3.7 21.1 1.0
O B:ARG176 3.8 17.3 1.0
C B:HIS175 3.8 20.3 1.0
N B:ARG176 3.8 19.3 1.0
CG1 B:VAL247 3.8 33.4 1.0
OG1 B:THR172 3.9 19.9 1.0
CE B:MET362 3.9 26.9 1.0
C2 B:2VG405 4.0 22.8 0.7
C6 B:2VG405 4.1 22.9 0.7
CA B:LEU177 4.2 16.9 1.0
CG2 B:VAL247 4.3 33.8 1.0
C1 B:2VG405 4.6 22.8 0.7
CB B:VAL247 4.7 34.1 1.0
O B:VAL360 4.7 16.9 1.0
N B:HIS175 4.7 21.7 1.0
CA B:HIS175 4.7 21.3 1.0
CG B:LEU177 4.8 17.8 1.0
CD1 B:LEU177 4.9 18.2 1.0
CB B:THR172 4.9 18.9 1.0

Reference:

Z.Yin, A.J.Oakley. Reaching Beyond the Anchor Site: Inhibitor Design Mimicking the Mechanism of Linear Motif Recognition By the E. Coli Sliding Clamp To Be Published.
Page generated: Thu Jul 25 23:37:46 2024

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