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Calcium in PDB 4n9a: E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-1-Carboxylic Acid

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

All present enzymatic activity of E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-1-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-1-Carboxylic Acid, PDB code: 4n9a 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) 36.46 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 79.780, 67.370, 81.120, 90.00, 113.92, 90.00
R / Rfree (%) 21.4 / 26.1

Other elements in 4n9a:

The structure of E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-1-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-1-Carboxylic Acid (pdb code 4n9a). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 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-1-Carboxylic Acid, PDB code: 4n9a:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in 4n9a

Go back to Calcium Binding Sites List in 4n9a
Calcium binding site 1 out of 5 in the E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-1-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-1-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca401

b:63.4
occ:1.00
 O B:HOH641 2.0 40.5 1.0
O B:GLU301 3.7 21.6 1.0
CB B:GLU301 4.0 29.5 1.0
C B:GLU301 4.2 25.8 1.0
O A:ARG105 4.2 25.6 1.0
CB A:ARG105 4.2 32.5 1.0
O B:HOH636 4.2 31.6 1.0
CB A:SER107 4.2 24.7 1.0
C A:ARG105 4.3 27.1 1.0
N A:SER107 4.3 22.3 1.0
N A:PHE106 4.4 24.3 1.0
C A:PHE106 4.4 24.0 1.0
CB B:GLU303 4.5 26.0 1.0
CA A:PHE106 4.5 23.3 1.0
CG A:ARG105 4.6 39.3 1.0
N B:GLU303 4.6 24.1 1.0
C B:ALA302 4.7 24.7 1.0
N B:ALA302 4.7 23.4 1.0
CA B:GLU301 4.8 26.3 1.0
CA B:ALA302 4.8 24.4 1.0
OE2 B:GLU301 4.9 38.0 1.0
CA A:SER107 4.9 24.2 1.0
CA A:ARG105 4.9 29.3 1.0
O A:PHE106 4.9 25.1 1.0

Calcium binding site 2 out of 5 in 4n9a

Go back to Calcium Binding Sites List in 4n9a
Calcium binding site 2 out of 5 in the E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-1-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-1-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca403

b:59.7
occ:1.00
 O A:HOH600 2.9 27.8 1.0
O A:GLY280 3.1 27.2 1.0
N A:ASN295 3.1 28.2 1.0
CA A:ALA294 3.4 24.8 1.0
O A:HOH516 3.5 22.7 1.0
C A:ALA294 3.7 25.8 1.0
O A:ASN295 3.8 29.9 1.0
C A:GLY280 3.8 24.6 1.0
ND2 A:ASN295 3.9 34.6 1.0
OD1 A:ASN295 4.0 41.1 1.0
CG A:ASN295 4.0 36.4 1.0
CA A:VAL281 4.0 24.9 1.0
O A:THR293 4.1 22.0 1.0
CB A:ALA294 4.2 23.2 1.0
CA A:ASN295 4.2 29.4 1.0
N A:ALA294 4.3 23.9 1.0
N A:VAL281 4.3 23.8 1.0
C A:ASN295 4.5 28.8 1.0
C A:THR293 4.6 23.6 1.0
C A:VAL281 4.6 25.4 1.0
N A:ARG282 4.6 26.2 1.0
CB A:ASN295 4.7 32.9 1.0
CA A:GLY280 4.8 24.3 1.0
O A:ALA294 4.8 26.2 1.0
CG A:ARG282 5.0 38.2 1.0

Calcium binding site 3 out of 5 in 4n9a

Go back to Calcium Binding Sites List in 4n9a
Calcium binding site 3 out of 5 in the E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-1-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-1-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca401

b:56.8
occ:1.00
 OD2 B:ASP211 2.6 24.2 1.0
CG B:ASP211 3.5 25.5 1.0
CB B:ASP211 3.7 24.5 1.0
OD1 B:ASP211 4.7 25.5 1.0

Calcium binding site 4 out of 5 in 4n9a

Go back to Calcium Binding Sites List in 4n9a
Calcium binding site 4 out of 5 in the E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-1-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-1-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca402

b:50.9
occ:1.00
 OE2 B:GLU202 3.2 37.0 1.0
O B:GLY46 3.5 24.2 1.0
OE1 B:GLU202 3.6 40.7 1.0
C B:GLY46 3.6 26.2 1.0
N B:THR47 3.7 26.3 1.0
CA B:THR47 3.8 26.6 1.0
CD B:GLU202 3.8 36.2 1.0
O B:MET51 4.0 24.7 1.0
O B:VAL17 4.2 29.0 1.0
N B:MET53 4.2 24.6 1.0
C B:THR47 4.2 26.6 1.0
CA B:GLU52 4.3 24.9 1.0
N B:ASP48 4.4 26.4 1.0
CA B:GLY46 4.4 23.3 1.0
C B:MET51 4.5 25.1 1.0
CG B:MET51 4.5 27.5 1.0
C B:GLU52 4.5 25.1 1.0
O B:HOH706 4.5 45.4 1.0
CB B:MET53 4.5 26.6 1.0
N B:GLU52 4.6 24.9 1.0
O B:HOH505 4.7 35.6 1.0
O B:THR47 4.9 26.9 1.0
C B:VAL17 5.0 28.6 1.0

Calcium binding site 5 out of 5 in 4n9a

Go back to Calcium Binding Sites List in 4n9a
Calcium binding site 5 out of 5 in the E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-1-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of E. Coli Sliding Clamp in Complex with (R)-6-Chloro-2,3,4,9-Tetrahydro- 1H-Carbazole-1-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca403

b:57.3
occ:1.00
 O B:HOH533 2.9 25.3 1.0
O B:HOH580 3.1 23.1 1.0
CB B:PRO183 3.8 25.2 1.0
OE1 B:GLU165 4.1 24.5 1.0
O B:HOH597 4.3 38.2 1.0
O B:HOH674 4.3 24.8 1.0
CB B:GLU165 4.5 24.0 1.0
CG B:PRO183 4.7 26.0 1.0
CD B:GLU165 4.8 27.5 1.0
CA B:PRO183 5.0 25.0 1.0

Reference:

Z.Yin, L.R.Whittell, Y.Wang, S.Jergic, M.Liu, E.J.Harry, N.E.Dixon, J.L.Beck, M.J.Kelso, A.J.Oakley. Discovery of Lead Compounds Targeting the Bacterial Sliding Clamp Using A Fragment-Based Approach. J.Med.Chem. V. 57 2799 2014.
ISSN: ISSN 0022-2623
PubMed: 24592885
DOI: 10.1021/JM500122R
Page generated: Wed Jul 9 00:46:36 2025

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