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Tellurium in PDB 6pgx: Synthesis of Novel Tellurides Bearing Benzensulfonamide Moiety As Carbonic Anhydrase Inhibitors with Antitumor Activity

Enzymatic activity of Synthesis of Novel Tellurides Bearing Benzensulfonamide Moiety As Carbonic Anhydrase Inhibitors with Antitumor Activity

All present enzymatic activity of Synthesis of Novel Tellurides Bearing Benzensulfonamide Moiety As Carbonic Anhydrase Inhibitors with Antitumor Activity:
4.2.1.1;

Protein crystallography data

The structure of Synthesis of Novel Tellurides Bearing Benzensulfonamide Moiety As Carbonic Anhydrase Inhibitors with Antitumor Activity, PDB code: 6pgx was solved by T.S.Peat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.13 / 1.36
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.458, 41.380, 72.430, 90.00, 104.41, 90.00
R / Rfree (%) 11.8 / 15.2

Other elements in 6pgx:

The structure of Synthesis of Novel Tellurides Bearing Benzensulfonamide Moiety As Carbonic Anhydrase Inhibitors with Antitumor Activity also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Tellurium Binding Sites:

The binding sites of Tellurium atom in the Synthesis of Novel Tellurides Bearing Benzensulfonamide Moiety As Carbonic Anhydrase Inhibitors with Antitumor Activity (pdb code 6pgx). This binding sites where shown within 5.0 Angstroms radius around Tellurium atom.
In total 3 binding sites of Tellurium where determined in the Synthesis of Novel Tellurides Bearing Benzensulfonamide Moiety As Carbonic Anhydrase Inhibitors with Antitumor Activity, PDB code: 6pgx:
Jump to Tellurium binding site number: 1; 2; 3;

Tellurium binding site 1 out of 3 in 6pgx

Go back to Tellurium Binding Sites List in 6pgx
Tellurium binding site 1 out of 3 in the Synthesis of Novel Tellurides Bearing Benzensulfonamide Moiety As Carbonic Anhydrase Inhibitors with Antitumor Activity


Mono view


Stereo pair view

A full contact list of Tellurium with other atoms in the Te binding site number 1 of Synthesis of Novel Tellurides Bearing Benzensulfonamide Moiety As Carbonic Anhydrase Inhibitors with Antitumor Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Te302

b:31.5
occ:0.40
TE4 A:OJ4302 0.0 31.5 0.4
C3 A:OJ4302 2.3 8.0 0.8
OD1 A:ASP72 2.5 18.2 1.0
CG A:ASP72 3.3 15.5 1.0
O A:HOH588 3.3 24.0 1.0
C2 A:OJ4302 3.4 18.3 0.8
O A:HOH653 3.4 29.6 1.0
OD2 A:ASP72 3.5 17.0 1.0
O1 A:OJ4302 3.8 23.4 0.8
O A:HOH619 3.8 35.6 1.0
O A:ASP72 3.8 17.5 1.0
C A:ASP72 4.0 14.4 1.0
N A:SER73 4.3 16.0 1.0
CA A:SER73 4.4 19.3 1.0
CB A:ASP72 4.5 14.5 1.0
C20 A:OJ4302 4.6 19.2 0.8
CA A:ASP72 4.7 13.4 1.0
CB A:SER73 4.7 22.4 1.0
O21 A:OJ4302 4.7 21.0 0.8
N A:ASP72 4.9 13.1 1.0
CZ2 A:TRP123 4.9 12.5 1.0

Tellurium binding site 2 out of 3 in 6pgx

Go back to Tellurium Binding Sites List in 6pgx
Tellurium binding site 2 out of 3 in the Synthesis of Novel Tellurides Bearing Benzensulfonamide Moiety As Carbonic Anhydrase Inhibitors with Antitumor Activity


Mono view


Stereo pair view

A full contact list of Tellurium with other atoms in the Te binding site number 2 of Synthesis of Novel Tellurides Bearing Benzensulfonamide Moiety As Carbonic Anhydrase Inhibitors with Antitumor Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Te303

b:44.3
occ:0.50
TE4 A:OJ4303 0.0 44.3 0.5
C3 A:OJ4303 2.1 41.8 0.9
C2 A:OJ4303 3.0 38.8 0.9
O1 A:OJ4303 3.0 46.4 0.9
C20 A:OJ4303 3.3 31.9 0.9
O21 A:OJ4303 4.5 25.2 0.9
O A:HOH424 4.8 24.0 1.0
CB A:HIS10 4.8 19.6 1.0

Tellurium binding site 3 out of 3 in 6pgx

Go back to Tellurium Binding Sites List in 6pgx
Tellurium binding site 3 out of 3 in the Synthesis of Novel Tellurides Bearing Benzensulfonamide Moiety As Carbonic Anhydrase Inhibitors with Antitumor Activity


Mono view


Stereo pair view

A full contact list of Tellurium with other atoms in the Te binding site number 3 of Synthesis of Novel Tellurides Bearing Benzensulfonamide Moiety As Carbonic Anhydrase Inhibitors with Antitumor Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Te304

b:15.5
occ:0.70
TE4 A:OJ4304 0.0 15.5 0.7
C5 A:OJ4304 2.0 14.7 0.5
C3 A:OJ4304 2.1 20.1 1.0
O19 A:OJ4304 2.3 10.4 0.5
C6 A:OJ4304 2.6 18.0 0.5
C2 A:OJ4304 3.0 24.2 1.0
C7 A:OJ4304 3.2 24.1 0.5
C20 A:OJ4304 3.5 18.5 1.0
O8 A:OJ4304 3.8 29.4 1.0
CD A:PRO202 3.9 9.9 1.0
CG A:PRO202 3.9 10.8 1.0
O21 A:OJ4304 4.0 16.9 1.0
O1 A:OJ4304 4.1 28.3 1.0
CD1 A:LEU198 4.2 8.6 1.0
CE2 A:PHE131 4.3 13.5 1.0
CG1 A:VAL135 4.5 10.7 1.0
CG2 A:VAL135 4.5 10.2 1.0
C9 A:OJ4304 4.7 24.3 0.5
CD1 A:LEU204 4.8 9.9 1.0
CZ A:PHE131 4.8 12.5 1.0
CB A:VAL135 4.9 9.8 1.0
C22 A:OJ4304 5.0 11.8 1.0

Reference:

D.Tanini, L.Ricci, A.Capperucci, L.Di Cesare Mannelli, C.Ghelardini, T.S.Peat, F.Carta, A.Angeli, C.T.Supuran. Synthesis of Novel Tellurides Bearing Benzensulfonamide Moiety As Carbonic Anhydrase Inhibitors with Antitumor Activity. Eur.J.Med.Chem. V. 181 11586 2019.
ISSN: ISSN 0223-5234
PubMed: 31401537
DOI: 10.1016/J.EJMECH.2019.111586
Page generated: Wed Dec 16 02:27:39 2020

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