Atomistry » Sodium » PDB 5uju-5v0c » 5uln
Atomistry »
  Sodium »
    PDB 5uju-5v0c »
      5uln »

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 Dec 15 11:42:42 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy