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

Enzymatic activity of E. Coli Sliding Clamp in Complex with (R)-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)-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)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-2-Carboxylic Acid, PDB code: 4ovf 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) 34.61 / 2.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 79.868, 67.258, 81.192, 90.00, 114.27, 90.00
R / Rfree (%) 21 / 27

Other elements in 4ovf:

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

Chlorine (Cl) 3 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-2-Carboxylic Acid (pdb code 4ovf). 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)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-2-Carboxylic Acid, PDB code: 4ovf:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 4ovf

Go back to Calcium Binding Sites List in 4ovf
Calcium binding site 1 out of 4 in the E. Coli Sliding Clamp in Complex with (R)-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)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca405

b:53.5
occ:1.00
 O A:ASN251 2.7 26.0 1.0
O A:HOH717 2.7 22.4 1.0
O A:HOH762 2.7 30.7 1.0
O A:HOH548 3.5 20.4 1.0
OD1 A:ASN251 3.8 31.5 1.0
C A:ASN251 3.9 26.9 1.0
CB A:ASN251 3.9 28.4 1.0
OD1 A:ASP253 4.0 29.4 1.0
CG A:ASN251 4.0 30.5 1.0
OD2 A:ASP253 4.1 30.4 1.0
CG A:ASP253 4.2 29.2 1.0
O A:HOH569 4.4 19.1 1.0
CG2 A:THR341 4.4 19.1 1.0
CA A:ASN251 4.5 27.3 1.0
N A:ASP253 4.7 27.1 1.0
ND2 A:ASN251 4.9 29.9 1.0
N A:PRO252 5.0 27.0 1.0
O A:HOH719 5.0 40.6 1.0

Calcium binding site 2 out of 4 in 4ovf

Go back to Calcium Binding Sites List in 4ovf
Calcium binding site 2 out of 4 in the E. Coli Sliding Clamp in Complex with (R)-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)-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:63.0
occ:1.00
 O A:GLY280 2.8 21.0 1.0
O A:HOH671 2.9 36.7 1.0
O A:HOH637 3.1 22.6 1.0
N A:ASN295 3.2 23.7 1.0
O A:HOH516 3.2 20.2 1.0
CA A:ALA294 3.5 21.2 1.0
C A:GLY280 3.6 20.9 1.0
O A:ASN295 3.7 26.9 1.0
C A:ALA294 3.8 21.9 1.0
OD1 A:ASN295 4.0 27.4 1.0
CA A:VAL281 4.1 20.1 1.0
CG A:ASN295 4.1 26.3 1.0
CB A:ALA294 4.2 20.4 1.0
O A:THR293 4.2 19.0 1.0
N A:VAL281 4.2 20.1 1.0
ND2 A:ASN295 4.3 27.0 1.0
CA A:ASN295 4.3 25.0 1.0
O A:HOH687 4.4 40.3 1.0
C A:ASN295 4.4 25.8 1.0
N A:ALA294 4.5 19.9 1.0
CA A:GLY280 4.6 21.5 1.0
C A:VAL281 4.7 20.9 1.0
C A:THR293 4.7 19.6 1.0
O A:HOH593 4.7 33.4 1.0
N A:ARG282 4.8 22.3 1.0
CB A:ASN295 4.8 25.5 1.0
CG A:ARG282 4.9 29.6 1.0

Calcium binding site 3 out of 4 in 4ovf

Go back to Calcium Binding Sites List in 4ovf
Calcium binding site 3 out of 4 in the E. Coli Sliding Clamp in Complex with (R)-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)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca401

b:41.1
occ:1.00
 O B:HOH758 2.5 15.9 1.0
O B:HOH609 2.8 24.7 1.0
O B:GLY280 2.9 14.9 1.0
N B:ASN295 3.1 19.6 1.0
O B:HOH541 3.3 15.6 1.0
CA B:ALA294 3.4 18.3 1.0
C B:ALA294 3.7 18.9 1.0
O B:ASN295 3.8 19.4 1.0
C B:GLY280 3.8 15.8 1.0
CG B:ASN295 3.9 23.1 1.0
ND2 B:ASN295 3.9 23.7 1.0
OD1 B:ASN295 4.0 24.5 1.0
O B:THR293 4.0 18.6 1.0
CA B:VAL281 4.1 17.2 1.0
CA B:ASN295 4.1 20.6 1.0
CD1 B:LEU366 4.3 26.3 1.0
CB B:ALA294 4.3 18.4 1.0
N B:ALA294 4.3 18.5 1.0
N B:VAL281 4.4 16.1 1.0
C B:ASN295 4.4 20.3 1.0
C B:THR293 4.5 18.4 1.0
CB B:ASN295 4.6 22.1 1.0
N B:ARG282 4.7 20.1 1.0
C B:VAL281 4.8 18.3 1.0
CD2 B:LEU366 4.8 26.8 1.0
O B:ALA294 4.8 18.4 1.0
CA B:GLY280 4.9 15.4 1.0
CG B:LEU366 4.9 26.5 1.0

Calcium binding site 4 out of 4 in 4ovf

Go back to Calcium Binding Sites List in 4ovf
Calcium binding site 4 out of 4 in the E. Coli Sliding Clamp in Complex with (R)-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)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca402

b:61.3
occ:1.00
 OE2 B:GLU161 2.8 26.7 1.0
OG B:SER190 2.8 21.4 0.4
O B:THR162 3.2 17.2 1.0
CD B:GLU161 3.4 24.7 1.0
CG B:GLU161 3.4 22.9 1.0
O B:HOH669 3.6 34.8 1.0
CB B:SER190 3.9 21.6 0.6
CG B:GLU163 3.9 21.8 1.0
N B:HIS191 3.9 21.4 1.0
CB B:GLU163 3.9 20.1 1.0
CB B:SER190 3.9 21.7 0.4
CA B:SER190 4.0 21.8 0.6
CA B:SER190 4.0 21.8 0.4
C B:SER190 4.1 22.0 1.0
OE2 B:GLU163 4.1 24.8 1.0
O B:HIS191 4.2 21.0 1.0
CD B:GLU163 4.2 23.1 1.0
OG B:SER190 4.2 21.1 0.6
C B:THR162 4.3 17.7 1.0
OE1 B:GLU161 4.5 26.1 1.0
CA B:GLU163 4.6 19.0 1.0
NH2 B:ARG245 4.6 35.6 1.0
C B:HIS191 4.7 21.3 1.0
CA B:HIS191 4.8 21.8 1.0
N B:GLU163 4.8 18.2 1.0
CB B:GLU161 4.9 20.2 1.0
O B:SER190 4.9 21.6 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 11:33:44 2024

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