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Sodium in PDB 5uln: 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: 5uln 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) 41.60 / 1.35
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.489, 41.563, 72.203, 90.00, 104.48, 90.00
R / Rfree (%) 10.6 / 14.3

Other elements in 5uln:

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 also contains other interesting chemical elements:

Fluorine (F) 1 atom
Zinc (Zn) 1 atom

Sodium Binding Sites:

The binding sites of Sodium 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 5uln). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where 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: 5uln:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 5uln

Go back to Sodium Binding Sites List in 5uln
Sodium binding site 1 out of 2 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 Sodium with other atoms in the Na 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:Na304

b:33.2
occ:1.00
 O A:HOH401 2.4 24.7 1.0
O A:PRO215 2.8 10.6 1.0
OE1 A:GLU214 2.9 15.2 0.5
O A:HOH619 2.9 20.1 1.0
O A:HOH590 3.3 28.5 1.0
O A:HOH574 3.7 34.0 1.0
CA A:ILE216 3.7 8.4 1.0
O A:HOH420 3.7 41.5 1.0
CB A:PRO186 3.7 10.2 1.0
OE2 A:GLU214 3.7 14.3 0.5
CD A:GLU214 3.7 13.8 0.5
C A:PRO215 3.8 8.4 1.0
CG A:GLU214 3.9 12.9 0.5
CD A:GLU214 3.9 9.3 0.5
CA A:PRO186 3.9 10.2 1.0
CG A:GLU214 4.0 8.6 0.5
CG2 A:ILE216 4.2 10.0 1.0
N A:ILE216 4.2 8.4 1.0
CB A:ILE216 4.4 9.4 1.0
N A:SER217 4.5 9.5 0.5
N A:SER217 4.5 9.8 0.5
N A:GLU187 4.5 10.6 0.5
C A:ILE216 4.5 9.6 1.0
N A:GLU187 4.6 10.9 0.5
OE1 A:GLU214 4.6 7.0 0.5
NZ A:LYS154 4.7 20.7 1.0
C A:PRO186 4.8 10.2 1.0
OE2 A:GLU214 4.9 17.6 0.5

Sodium binding site 2 out of 2 in 5uln

Go back to Sodium Binding Sites List in 5uln
Sodium binding site 2 out of 2 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 Sodium with other atoms in the Na binding site number 2 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:Na305

b:25.1
occ:1.00
 O A:LYS45 2.5 19.6 1.0
OH A:TYR191 2.6 10.8 1.0
O A:HOH556 2.8 19.7 1.0
O A:HOH463 3.1 28.9 1.0
CZ A:TYR191 3.4 9.3 1.0
CE2 A:TYR191 3.4 9.0 1.0
C A:LYS45 3.5 24.7 1.0
CB A:LEU44 3.8 16.7 1.0
CB A:SER259 3.9 9.8 1.0
CA A:PRO46 4.0 20.5 1.0
N A:LEU47 4.0 15.8 1.0
CA A:GLY82 4.0 14.7 1.0
C A:LEU44 4.0 25.3 1.0
O A:LEU44 4.1 25.2 1.0
N A:PRO46 4.2 19.3 1.0
C A:PRO46 4.2 16.1 1.0
N A:LYS45 4.2 24.1 1.0
O A:HOH603 4.4 34.9 1.0
CA A:LYS45 4.5 24.9 1.0
CA A:LEU44 4.5 20.6 1.0
CD2 A:TYR191 4.6 9.2 1.0
CE1 A:TYR191 4.6 8.7 1.0
N A:GLY82 4.6 14.7 1.0
O A:HOH469 4.7 20.0 1.0
OG A:SER259 4.8 9.8 1.0
CA A:SER259 4.8 9.9 1.0
CG A:LEU44 4.9 14.0 1.0
CD1 A:LEU44 4.9 14.4 1.0
CB A:LEU47 4.9 16.4 1.0
C A:GLY82 4.9 13.4 1.0
CA A:LEU47 4.9 14.6 1.0

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: Tue Oct 8 00:35:35 2024

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