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Bromine in PDB 4ovh: E. Coli Sliding Clamp in Complex with (R)-6-Bromo-9-(2- (Carboxymethylamino)-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- (Carboxymethylamino)-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- (Carboxymethylamino)-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- (Carboxymethylamino)-2-Oxoethyl)-2,3,4,9-Tetrahydro-1H-Carbazole-2- Carboxylic Acid, PDB code: 4ovh 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) 29.82 / 2.25
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 80.028, 66.423, 80.793, 90.00, 114.76, 90.00
R / Rfree (%) 18.9 / 25

Other elements in 4ovh:

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

Chlorine (Cl) 1 atom
Calcium (Ca) 1 atom

Bromine Binding Sites:

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

Bromine binding site 1 out of 1 in 4ovh

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


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of E. Coli Sliding Clamp in Complex with (R)-6-Bromo-9-(2- (Carboxymethylamino)-2-Oxoethyl)-2,3,4,9-Tetrahydro-1H-Carbazole-2- Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br405

b:33.5
occ:0.90
 BR A:2VE405 0.0 33.5 0.9
CAD A:2VE405 1.9 31.3 0.9
CAE A:2VE405 2.7 31.6 0.9
CAC A:2VE405 2.9 30.8 0.9
CG1 A:VAL247 3.4 33.6 1.0
O A:VAL360 3.7 25.7 1.0
CA A:ARG176 3.7 20.2 1.0
C A:ARG176 3.7 19.6 1.0
O A:HIS175 3.8 23.9 1.0
N A:LEU177 3.8 18.8 1.0
CG1 A:VAL360 3.9 22.9 1.0
CB A:LEU177 4.0 18.1 1.0
N A:ARG176 4.0 21.2 1.0
C A:HIS175 4.0 22.4 1.0
CAF A:2VE405 4.0 31.5 0.9
CAB A:2VE405 4.1 30.5 0.9
C A:VAL360 4.2 24.4 1.0
CB A:VAL360 4.3 22.6 1.0
O A:ARG176 4.3 19.6 1.0
CG A:MET362 4.4 37.8 1.0
CA A:LEU177 4.5 18.4 1.0
CAA A:2VE405 4.6 30.8 0.9
OG1 A:THR172 4.7 17.8 1.0
N A:VAL361 4.7 25.4 1.0
N A:MET362 4.8 30.4 1.0
CA A:VAL361 4.8 27.1 1.0
CB A:VAL247 4.8 33.1 1.0
SD A:MET362 4.9 41.6 1.0
CA A:VAL360 4.9 22.9 1.0
CB A:ARG176 5.0 19.7 1.0
C A:VAL361 5.0 27.4 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: Wed Jul 10 22:12:00 2024

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