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

Enzymatic activity of E. Coli Sliding Clamp in Complex with (R)-9-(2-Amino-2-Oxoethyl)-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)-9-(2-Amino-2-Oxoethyl)-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)-9-(2-Amino-2-Oxoethyl)-6- Chloro-2,3,4,9-Tetrahydro-1H-Carbazole-2-Carboxylic Acid, PDB code: 4ovg 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) 21.62 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 80.079, 66.197, 80.625, 90.00, 114.90, 90.00
R / Rfree (%) 18 / 22.6

Other elements in 4ovg:

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

Chlorine binding site 1 out of 4 in 4ovg

Go back to Chlorine Binding Sites List in 4ovg
Chlorine binding site 1 out of 4 in the E. Coli Sliding Clamp in Complex with (R)-9-(2-Amino-2-Oxoethyl)-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)-9-(2-Amino-2-Oxoethyl)-6- Chloro-2,3,4,9-Tetrahydro-1H-Carbazole-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:19.1
occ:0.70
 CL A:2VF401 0.0 19.1 0.7
C A:2VF401 1.8 20.2 0.7
C1 A:2VF401 2.7 20.8 0.7
C14 A:2VF401 2.8 19.9 0.7
CG1 A:VAL247 3.3 20.6 1.0
CA A:ARG176 3.5 12.8 1.0
C A:ARG176 3.5 11.8 1.0
N A:LEU177 3.6 10.9 1.0
O A:VAL360 3.6 13.9 1.0
CB A:LEU177 3.8 9.5 1.0
O A:HIS175 3.8 15.9 1.0
N A:ARG176 3.9 13.4 1.0
CG1 A:VAL360 3.9 13.9 1.0
C2 A:2VF401 4.0 22.3 0.7
C A:HIS175 4.0 16.1 1.0
CB A:VAL360 4.0 13.2 1.0
C4 A:2VF401 4.1 21.2 0.7
O A:ARG176 4.2 11.5 1.0
C A:VAL360 4.2 13.2 1.0
CA A:LEU177 4.3 10.1 1.0
CG A:MET362 4.5 33.1 1.0
OG1 A:THR172 4.6 12.0 1.0
C3 A:2VF401 4.6 22.6 0.7
CB A:VAL247 4.7 20.5 1.0
CA A:VAL360 4.8 13.0 1.0
CB A:ARG176 4.8 12.9 1.0
N A:VAL361 4.9 13.5 1.0
SD A:MET362 5.0 45.0 1.0

Chlorine binding site 2 out of 4 in 4ovg

Go back to Chlorine Binding Sites List in 4ovg
Chlorine binding site 2 out of 4 in the E. Coli Sliding Clamp in Complex with (R)-9-(2-Amino-2-Oxoethyl)-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)-9-(2-Amino-2-Oxoethyl)-6- Chloro-2,3,4,9-Tetrahydro-1H-Carbazole-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl410

b:38.5
occ:1.00
 NH1 A:ARG269 3.1 14.9 1.0
O A:HOH550 3.1 20.0 1.0
CG A:GLN265 3.1 24.8 1.0
CB A:GLN265 3.2 19.6 1.0
NE2 A:GLN265 3.3 25.1 1.0
CD A:GLN265 3.5 28.3 1.0
NH2 A:ARG269 3.8 14.8 1.0
CZ A:ARG269 3.9 14.6 1.0
CB B:PRO83 4.0 16.8 1.0
CD2 A:LEU262 4.2 22.8 1.0
CD B:PRO83 4.2 16.0 1.0
CG B:PRO83 4.3 16.3 1.0
N B:PRO83 4.5 15.8 1.0
CA B:PRO83 4.6 16.2 1.0
OE1 A:GLN265 4.6 34.9 1.0
CA A:GLN265 4.7 16.7 1.0
O B:GLY81 4.8 15.1 1.0
O A:LEU262 4.9 13.1 1.0
CA A:LEU262 5.0 15.0 1.0
C A:GLN265 5.0 14.8 1.0

Chlorine binding site 3 out of 4 in 4ovg

Go back to Chlorine Binding Sites List in 4ovg
Chlorine binding site 3 out of 4 in the E. Coli Sliding Clamp in Complex with (R)-9-(2-Amino-2-Oxoethyl)-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)-9-(2-Amino-2-Oxoethyl)-6- Chloro-2,3,4,9-Tetrahydro-1H-Carbazole-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:15.2
occ:0.70
 CL B:2VF401 0.0 15.2 0.7
C B:2VF401 1.8 17.3 0.7
C1 B:2VF401 2.7 17.2 0.7
C14 B:2VF401 2.7 17.6 0.7
C B:ARG176 3.5 10.1 1.0
CA B:ARG176 3.6 10.3 1.0
O B:HIS175 3.6 12.4 1.0
CB B:LEU177 3.6 11.3 1.0
N B:LEU177 3.6 9.6 1.0
C B:HIS175 3.8 11.6 1.0
N B:ARG176 3.8 10.7 1.0
CG2 B:VAL247 3.9 25.2 1.0
O B:ARG176 3.9 10.4 1.0
C4 B:2VF401 4.0 18.4 0.7
CE B:MET362 4.0 17.9 1.0
C2 B:2VF401 4.0 18.0 0.7
OG1 B:THR172 4.0 10.4 1.0
CA B:LEU177 4.2 9.6 1.0
O B:VAL360 4.4 9.2 1.0
C3 B:2VF401 4.6 18.6 0.7
CB B:VAL247 4.7 25.8 1.0
CA B:HIS175 4.7 13.4 1.0
N B:HIS175 4.8 12.5 1.0
CG B:LEU177 4.8 12.0 1.0
CD1 B:LEU177 4.8 13.4 1.0
CB B:ARG176 5.0 10.7 1.0
CG1 B:VAL247 5.0 27.5 1.0
SD B:MET362 5.0 19.5 1.0

Chlorine binding site 4 out of 4 in 4ovg

Go back to Chlorine Binding Sites List in 4ovg
Chlorine binding site 4 out of 4 in the E. Coli Sliding Clamp in Complex with (R)-9-(2-Amino-2-Oxoethyl)-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 4 of E. Coli Sliding Clamp in Complex with (R)-9-(2-Amino-2-Oxoethyl)-6- Chloro-2,3,4,9-Tetrahydro-1H-Carbazole-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl406

b:53.7
occ:1.00
 ND2 B:ASN275 3.3 12.2 1.0
CE2 B:PHE278 3.9 16.4 1.0
CD B:LYS277 3.9 27.1 1.0
OD1 B:ASN275 4.2 11.3 1.0
CG B:ASN275 4.2 12.2 1.0
CD2 B:PHE278 4.2 15.4 1.0
NZ B:LYS277 4.4 32.1 1.0
CE B:LYS277 4.6 29.8 1.0
CG B:PRO297 4.7 17.7 1.0
CG B:LYS277 5.0 23.5 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 23:37:50 2024

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