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Zinc in PDB 5umc: Synthesis of Novel Seleno Ureido Containing Compounds As Slc-0111 Analogs. Investigations on Carbonic Anhydrases Activity, Glutathione Peroxidase and X-Ray Crystallography

Enzymatic activity of Synthesis of Novel Seleno Ureido Containing Compounds As Slc-0111 Analogs. Investigations on Carbonic Anhydrases Activity, Glutathione Peroxidase and X-Ray Crystallography

All present enzymatic activity of Synthesis of Novel Seleno Ureido Containing Compounds As Slc-0111 Analogs. Investigations on Carbonic Anhydrases Activity, Glutathione Peroxidase and X-Ray Crystallography:
4.2.1.1;

Protein crystallography data

The structure of Synthesis of Novel Seleno Ureido Containing Compounds As Slc-0111 Analogs. Investigations on Carbonic Anhydrases Activity, Glutathione Peroxidase and X-Ray Crystallography, PDB code: 5umc was solved by T.S.Peat, A.Angeli, D.Tanini, G.Bartolucci, A.Capperucci, C.T.Supuran, F.Carta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.50 / 2.15
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.485, 41.498, 72.280, 90.00, 104.42, 90.00
R / Rfree (%) 19.6 / 26.1

Zinc Binding Sites:

The binding sites of Zinc atom in the Synthesis of Novel Seleno Ureido Containing Compounds As Slc-0111 Analogs. Investigations on Carbonic Anhydrases Activity, Glutathione Peroxidase and X-Ray Crystallography (pdb code 5umc). 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 Synthesis of Novel Seleno Ureido Containing Compounds As Slc-0111 Analogs. Investigations on Carbonic Anhydrases Activity, Glutathione Peroxidase and X-Ray Crystallography, PDB code: 5umc:

Zinc binding site 1 out of 1 in 5umc

Go back to Zinc Binding Sites List in 5umc
Zinc binding site 1 out of 1 in the Synthesis of Novel Seleno Ureido Containing Compounds As Slc-0111 Analogs. Investigations on Carbonic Anhydrases Activity, Glutathione Peroxidase and X-Ray Crystallography


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Synthesis of Novel Seleno Ureido Containing Compounds As Slc-0111 Analogs. Investigations on Carbonic Anhydrases Activity, Glutathione Peroxidase and X-Ray Crystallography within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:12.5
occ:1.00
 NE2 A:HIS94 2.0 12.3 1.0
ND1 A:HIS119 2.0 14.8 1.0
NE2 A:HIS96 2.1 14.4 1.0
N16 A:UNL304 2.1 9.9 0.4
N16 A:UNL304 2.2 18.7 0.5
O20 A:UNL304 2.9 18.9 0.5
CD2 A:HIS94 2.9 12.2 1.0
CE1 A:HIS119 2.9 14.4 1.0
CE1 A:HIS94 3.0 13.1 1.0
CD2 A:HIS96 3.0 15.2 1.0
S22 A:UNL304 3.1 18.6 0.5
CE1 A:HIS96 3.1 14.5 1.0
CG A:HIS119 3.1 14.3 1.0
S22 A:UNL304 3.2 10.0 0.4
O20 A:UNL304 3.2 9.9 0.4
CB A:HIS119 3.5 14.3 1.0
OG1 A:THR199 3.9 12.3 1.0
OE1 A:GLU106 4.0 11.9 1.0
CG A:HIS94 4.0 13.2 1.0
ND1 A:HIS94 4.1 13.0 1.0
O19 A:UNL304 4.1 18.4 0.5
NE2 A:HIS119 4.1 13.6 1.0
CG A:HIS96 4.2 15.1 1.0
ND1 A:HIS96 4.2 14.1 1.0
CD2 A:HIS119 4.2 13.9 1.0
O19 A:UNL304 4.2 10.0 0.4
C12 A:UNL304 4.2 21.1 0.5
C12 A:UNL304 4.3 10.6 0.4
C1 A:GOL302 4.5 13.6 1.0
C8 A:UNL304 4.9 22.2 0.5
C8 A:UNL304 4.9 10.9 0.4
CD A:GLU106 4.9 12.9 1.0
CA A:HIS119 5.0 13.6 1.0
C9 A:UNL304 5.0 22.1 0.5
C9 A:UNL304 5.0 10.9 0.4

Reference:

A.Angeli, D.Tanini, T.S.Peat, L.Di Cesare Mannelli, G.Bartolucci, A.Capperucci, C.Ghelardini, C.T.Supuran, F.Carta. Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)Benzenesulfonamide As Carbonic Anhydrase Inhibitors. Acs Med Chem Lett V. 8 963 2017.
ISSN: ISSN 1948-5875
PubMed: 28947945
DOI: 10.1021/ACSMEDCHEMLETT.7B00280
Page generated: Mon Oct 28 11:17:24 2024

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