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Zinc in PDB 6eeo: Bioreductive 4-Hydroxy-3-Nitro-5-Ureido-Benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII and Show Hypoxia-Enhanced Cytotoxicity Against Human Cancer Cell Lines.

Enzymatic activity of Bioreductive 4-Hydroxy-3-Nitro-5-Ureido-Benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII and Show Hypoxia-Enhanced Cytotoxicity Against Human Cancer Cell Lines.

All present enzymatic activity of Bioreductive 4-Hydroxy-3-Nitro-5-Ureido-Benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII and Show Hypoxia-Enhanced Cytotoxicity Against Human Cancer Cell Lines.:
4.2.1.1;

Protein crystallography data

The structure of Bioreductive 4-Hydroxy-3-Nitro-5-Ureido-Benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII and Show Hypoxia-Enhanced Cytotoxicity Against Human Cancer Cell Lines., PDB code: 6eeo was solved by S.Singh, R.Mckenna, C.T.Supuran, A.Nocentini, C.Lomelino, E.Lucarini, G.Bartolucci, L.D.C.Mannelli, C.Ghelardini, P.Gratteri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.97 / 1.72
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.590, 41.940, 72.756, 90.00, 104.08, 90.00
R / Rfree (%) 17.3 / 20.7

Other elements in 6eeo:

The structure of Bioreductive 4-Hydroxy-3-Nitro-5-Ureido-Benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII and Show Hypoxia-Enhanced Cytotoxicity Against Human Cancer Cell Lines. also contains other interesting chemical elements:

Fluorine (F) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Bioreductive 4-Hydroxy-3-Nitro-5-Ureido-Benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII and Show Hypoxia-Enhanced Cytotoxicity Against Human Cancer Cell Lines. (pdb code 6eeo). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Bioreductive 4-Hydroxy-3-Nitro-5-Ureido-Benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII and Show Hypoxia-Enhanced Cytotoxicity Against Human Cancer Cell Lines., PDB code: 6eeo:

Zinc binding site 1 out of 1 in 6eeo

Go back to Zinc Binding Sites List in 6eeo
Zinc binding site 1 out of 1 in the Bioreductive 4-Hydroxy-3-Nitro-5-Ureido-Benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII and Show Hypoxia-Enhanced Cytotoxicity Against Human Cancer Cell Lines.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Bioreductive 4-Hydroxy-3-Nitro-5-Ureido-Benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII and Show Hypoxia-Enhanced Cytotoxicity Against Human Cancer Cell Lines. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:14.5
occ:1.00
 ND1 A:HIS119 2.0 10.4 1.0
N23 A:J6V302 2.0 18.1 1.0
NE2 A:HIS96 2.1 12.2 1.0
NE2 A:HIS94 2.1 14.6 1.0
CE1 A:HIS119 2.9 10.6 1.0
CD2 A:HIS96 3.0 12.8 1.0
CD2 A:HIS94 3.0 12.7 1.0
S20 A:J6V302 3.0 19.7 1.0
CE1 A:HIS94 3.1 16.9 1.0
CG A:HIS119 3.1 12.0 1.0
CE1 A:HIS96 3.1 15.7 1.0
O22 A:J6V302 3.2 18.9 1.0
C01 A:J6V302 3.5 22.0 1.0
CB A:HIS119 3.6 9.1 1.0
C06 A:J6V302 3.6 22.9 1.0
OE1 A:GLU106 4.0 12.3 1.0
OG1 A:THR199 4.0 15.2 1.0
NE2 A:HIS119 4.0 10.5 1.0
CG A:HIS96 4.1 11.1 1.0
CD2 A:HIS119 4.2 11.9 1.0
CG A:HIS94 4.2 12.9 1.0
ND1 A:HIS94 4.2 12.7 1.0
ND1 A:HIS96 4.2 12.6 1.0
O21 A:J6V302 4.3 26.8 1.0
C02 A:J6V302 4.7 42.0 1.0
C05 A:J6V302 4.7 42.7 1.0
O25 A:J6V302 4.9 44.4 1.0
CD A:GLU106 4.9 15.4 1.0

Reference:

A.Nocentini, E.Trallori, S.Singh, C.L.Lomelino, G.Bartolucci, L.Di Cesare Mannelli, C.Ghelardini, R.Mckenna, P.Gratteri, C.T.Supuran. 4-Hydroxy-3-Nitro-5-Ureido-Benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles. J. Med. Chem. V. 61 10860 2018.
ISSN: ISSN 1520-4804
PubMed: 30433782
DOI: 10.1021/ACS.JMEDCHEM.8B01504
Page generated: Mon Oct 28 20:08:10 2024

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