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Chlorine in PDB 4pnw: E. Coli Sliding Clamp in Complex with (R)-6-Bromo-9-(2-((S)-1-Carboxy- 2-Phenylethylamino)-2-Oxoethyl)-2,3,4,9-Tetrahydro-1H-Carbazole-2- Carboxylic Acid

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

All present enzymatic activity of E. Coli Sliding Clamp in Complex with (R)-6-Bromo-9-(2-((S)-1-Carboxy- 2-Phenylethylamino)-2-Oxoethyl)-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-Bromo-9-(2-((S)-1-Carboxy- 2-Phenylethylamino)-2-Oxoethyl)-2,3,4,9-Tetrahydro-1H-Carbazole-2- Carboxylic Acid, PDB code: 4pnw 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) 28.01 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 79.815, 68.711, 83.055, 90.00, 115.72, 90.00
R / Rfree (%) 18.4 / 23.3

Other elements in 4pnw:

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

Bromine (Br) 2 atoms
Calcium (Ca) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the E. Coli Sliding Clamp in Complex with (R)-6-Bromo-9-(2-((S)-1-Carboxy- 2-Phenylethylamino)-2-Oxoethyl)-2,3,4,9-Tetrahydro-1H-Carbazole-2- Carboxylic Acid (pdb code 4pnw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the E. Coli Sliding Clamp in Complex with (R)-6-Bromo-9-(2-((S)-1-Carboxy- 2-Phenylethylamino)-2-Oxoethyl)-2,3,4,9-Tetrahydro-1H-Carbazole-2- Carboxylic Acid, PDB code: 4pnw:

Chlorine binding site 1 out of 1 in 4pnw

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

b:37.8
occ:1.00
 O B:LEU262 2.7 18.4 1.0
O B:HOH616 2.8 16.9 1.0
O B:HOH532 2.9 20.8 1.0
NH2 B:ARG269 3.0 16.5 1.0
N B:ALA266 3.4 16.0 1.0
C B:LEU262 3.6 18.7 1.0
CB B:ALA266 3.6 15.5 1.0
CB B:GLN265 3.7 18.7 0.5
CA B:LEU262 3.7 19.6 1.0
O B:HOH547 3.8 16.8 1.0
CB B:GLN265 3.8 18.0 0.5
CA B:ALA266 3.9 15.5 1.0
CD2 B:LEU262 3.9 22.1 1.0
CZ B:ARG269 3.9 16.9 1.0
CB B:LEU262 4.0 21.1 1.0
C B:GLN265 4.1 17.3 1.0
NH1 B:ARG269 4.1 17.2 1.0
O B:HOH629 4.3 28.7 1.0
OE1 B:GLN265 4.3 20.9 0.5
CA B:GLN265 4.4 18.0 0.5
CA B:GLN265 4.4 17.7 0.5
CG B:LEU262 4.6 21.5 1.0
N B:LEU263 4.8 18.3 1.0
N B:GLN265 4.8 17.7 1.0
CD2 B:LEU306 4.8 25.1 1.0
CG B:GLN265 4.9 19.9 0.5
O B:GLN265 4.9 16.1 1.0
CG B:LEU306 4.9 24.7 1.0
OE1 B:GLU304 5.0 17.3 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: Fri Jul 26 00:06:58 2024

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