Atomistry » Bromine » PDB 4p6j-4tm1 » 4pnu
Atomistry »
  Bromine »
    PDB 4p6j-4tm1 »
      4pnu »

Bromine in PDB 4pnu: E. Coli Sliding Clamp in Complex with (R)-6-Bromo-9-(2-((R)-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-((R)-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-((R)-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-((R)-1-Carboxy- 2-Phenylethylamino)-2-Oxoethyl)-2,3,4,9-Tetrahydro-1H-Carbazole-2- Carboxylic Acid, PDB code: 4pnu 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) 28.27 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 79.895, 67.193, 81.016, 90.00, 114.54, 90.00
R / Rfree (%) 18.2 / 23.1

Other elements in 4pnu:

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

Chlorine (Cl) 2 atoms
Calcium (Ca) 2 atoms

Bromine Binding Sites:

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

Bromine binding site 1 out of 2 in 4pnu

Go back to Bromine Binding Sites List in 4pnu
Bromine binding site 1 out of 2 in the E. Coli Sliding Clamp in Complex with (R)-6-Bromo-9-(2-((R)-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 Bromine with other atoms in the Br binding site number 1 of E. Coli Sliding Clamp in Complex with (R)-6-Bromo-9-(2-((R)-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
A:Br405

b:20.3
occ:1.00
BR A:2VD405 0.0 20.3 1.0
CAA A:2VD405 1.9 18.4 1.0
CAB A:2VD405 2.8 18.3 1.0
CAF A:2VD405 2.9 18.4 1.0
CG1 A:VAL247 3.5 21.4 1.0
O A:VAL360 3.5 12.5 1.0
CA A:ARG176 3.6 12.3 1.0
C A:ARG176 3.7 11.7 1.0
N A:LEU177 3.7 11.2 1.0
O A:HIS175 3.7 13.7 1.0
N A:ARG176 3.9 12.7 1.0
C A:HIS175 3.9 14.3 1.0
CG1 A:VAL360 4.0 12.9 1.0
CB A:LEU177 4.0 10.6 1.0
C A:VAL360 4.0 12.6 1.0
CAC A:2VD405 4.1 18.7 1.0
CB A:VAL360 4.1 12.9 1.0
CAE A:2VD405 4.2 18.6 1.0
O A:ARG176 4.4 11.6 1.0
N A:MET362 4.4 14.9 1.0
CA A:LEU177 4.5 10.6 1.0
N A:VAL361 4.5 12.4 1.0
CAD A:2VD405 4.6 19.0 1.0
CA A:VAL361 4.7 12.8 1.0
CA A:VAL360 4.7 12.5 1.0
C A:VAL361 4.8 13.8 1.0
OG1 A:THR172 4.8 10.8 1.0
CA A:HIS175 4.9 15.5 1.0
CB A:ARG176 4.9 12.2 1.0
CB A:MET362 4.9 18.0 0.5
CB A:VAL247 5.0 22.0 1.0

Bromine binding site 2 out of 2 in 4pnu

Go back to Bromine Binding Sites List in 4pnu
Bromine binding site 2 out of 2 in the E. Coli Sliding Clamp in Complex with (R)-6-Bromo-9-(2-((R)-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 Bromine with other atoms in the Br binding site number 2 of E. Coli Sliding Clamp in Complex with (R)-6-Bromo-9-(2-((R)-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:Br404

b:34.5
occ:1.00
BR B:2VD404 0.0 34.5 1.0
CAA B:2VD404 1.9 39.2 1.0
CAB B:2VD404 2.8 39.1 1.0
CAF B:2VD404 2.9 40.2 1.0
C B:ARG176 3.6 13.9 1.0
CB B:LEU177 3.6 13.8 1.0
CA B:ARG176 3.7 14.7 1.0
N B:LEU177 3.7 13.3 1.0
O B:HIS175 3.7 18.6 1.0
CE B:MET362 3.9 19.2 1.0
C B:HIS175 3.9 17.9 1.0
N B:ARG176 3.9 15.9 1.0
O B:ARG176 4.1 13.1 1.0
CG2 B:VAL247 4.1 25.7 1.0
CAC B:2VD404 4.1 42.7 1.0
CAE B:2VD404 4.2 43.5 1.0
OG1 B:THR172 4.2 16.8 1.0
CA B:LEU177 4.3 12.9 1.0
CG1 B:VAL247 4.3 26.6 1.0
O B:VAL360 4.4 12.0 1.0
CB B:VAL247 4.4 26.3 1.0
CAD B:2VD404 4.6 43.6 1.0
CG1 B:VAL360 4.8 12.8 1.0
CD1 B:LEU177 4.8 14.7 1.0
CA B:HIS175 4.8 19.4 1.0
CB B:VAL360 4.8 12.5 1.0
CG B:LEU177 4.9 14.3 1.0
N B:HIS175 4.9 19.4 1.0
SD B:MET362 5.0 20.0 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: Sat Dec 12 02:22:25 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy