Atomistry » Calcium » PDB 4n66-4nhf » 4n9a
Atomistry »
  Calcium »
    PDB 4n66-4nhf »
      4n9a »

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

Last articles

Fe in 9K3V
Fe in 9K3U
Fe in 9KDG
Fe in 9KDF
Fe in 9K3B
Fe in 9K3Q
Fe in 9K39
Fe in 9K38
Fe in 9JP5
Fe in 9K2G
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy