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Calcium 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:

Chlorine (Cl) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium 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 Calcium atom.
In total 4 binding sites of Calcium 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 Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 4ovg

Go back to Calcium Binding Sites List in 4ovg
Calcium 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 Calcium with other atoms in the Ca 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:Ca404

b:38.8
occ:1.00
 O A:HOH699 2.4 27.5 1.0
O A:HOH736 2.4 31.6 1.0
OE2 A:GLU334 2.6 30.9 1.0
OE1 A:GLU334 2.6 30.5 1.0
CD A:GLU334 3.0 28.8 1.0
CG A:GLU334 4.5 27.2 1.0
O A:HOH514 4.5 16.4 1.0
OD2 A:ASP261 4.6 23.3 1.0

Calcium binding site 2 out of 4 in 4ovg

Go back to Calcium Binding Sites List in 4ovg
Calcium 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 Calcium with other atoms in the Ca 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:Ca406

b:33.3
occ:1.00
 O A:HOH737 2.2 19.2 1.0
O A:HOH697 2.4 24.1 1.0
O A:HOH563 2.5 16.1 1.0
O A:HOH738 2.5 22.2 1.0
OG A:SER345 4.0 14.8 1.0
O A:HOH715 4.7 27.5 1.0
CG2 A:VAL344 4.9 20.1 1.0
OD2 A:ASP342 5.0 18.4 1.0

Calcium binding site 3 out of 4 in 4ovg

Go back to Calcium Binding Sites List in 4ovg
Calcium 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 Calcium with other atoms in the Ca 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
A:Ca407

b:42.9
occ:1.00
 O A:THR110 2.4 14.7 1.0
O A:HOH633 2.6 21.0 1.0
O A:HOH728 2.6 35.3 1.0
O A:HOH734 2.6 32.6 1.0
O A:HOH727 2.6 28.0 1.0
O A:HOH735 2.7 31.4 1.0
O A:HOH636 3.0 36.9 1.0
C A:THR110 3.6 15.2 1.0
CD2 A:LEU111 3.7 15.9 1.0
O A:HOH591 4.3 24.1 1.0
N A:THR110 4.4 14.8 1.0
CA A:LEU111 4.4 14.6 1.0
N A:LEU111 4.5 14.2 1.0
OG1 A:THR110 4.6 15.6 1.0
CG A:LEU111 4.6 15.2 1.0
CA A:THR110 4.6 15.0 1.0
O A:GLU95 4.8 30.6 1.0
CB A:GLU95 4.9 30.4 1.0

Calcium binding site 4 out of 4 in 4ovg

Go back to Calcium Binding Sites List in 4ovg
Calcium 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 Calcium with other atoms in the Ca 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
A:Ca408

b:46.1
occ:1.00
 OG A:SER181 3.1 13.0 1.0
O A:HOH544 3.3 20.3 1.0
CB A:SER181 3.7 12.0 1.0
O A:SER356 3.7 16.0 1.0
N A:SER181 3.8 10.9 1.0
O A:GLN355 4.1 17.8 1.0
CG2 A:VAL179 4.4 9.8 1.0
CA A:SER181 4.4 11.4 1.0
C A:SER356 4.4 16.2 1.0
C A:CYS180 4.4 10.2 1.0
O A:HOH594 4.5 26.5 1.0
O A:VAL179 4.5 10.6 1.0
CA A:CYS180 4.6 10.2 1.0
CD A:ARG168 4.6 16.2 1.0
O A:HOH568 4.7 27.9 1.0
CG1 A:VAL179 4.7 10.2 1.0
C A:VAL179 4.7 10.4 1.0
N A:CYS180 4.8 10.0 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: Sun Jul 14 11:34:09 2024

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