Fluorine 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:

Zinc (Zn) 1 atom
Sodium (Na) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine 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 Fluorine atom.
In total only one binding site of Fluorine 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: 5uln:

Fluorine binding site 1 out of 1 in 5uln

Go back to Fluorine Binding Sites List in 5uln
Fluorine 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 Fluorine with other atoms in the F 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:F303

b:36.9
occ:1.00
F19 A:8JS303 0.0 36.9 1.0
C18 A:8JS303 1.4 30.3 1.0
C17 A:8JS303 2.4 37.0 1.0
C20 A:8JS303 2.4 20.5 1.0
O A:HOH713 2.8 35.8 1.0
CG A:PRO202 3.5 10.9 1.0
C16 A:8JS303 3.7 28.7 1.0
C21 A:8JS303 3.7 18.5 1.0
O A:HOH708 4.1 34.6 1.0
CD1 A:LEU204 4.1 10.2 1.0
CD A:PRO202 4.2 9.3 1.0
C15 A:8JS303 4.2 19.8 1.0
O A:HOH461 4.5 19.9 1.0
CB A:PRO202 4.5 10.2 1.0
CG2 A:VAL135 4.5 10.2 1.0
O A:HOH668 4.9 41.8 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: Sun Dec 13 12:39:28 2020

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