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Fluorine in PDB 6nm0: Selective Inhibition of Carbonic Anhydrase IX Activity, Using Compound Slc-149, Displays Limited Anticancer Effects in Breast Cancer Cell Lines

Enzymatic activity of Selective Inhibition of Carbonic Anhydrase IX Activity, Using Compound Slc-149, Displays Limited Anticancer Effects in Breast Cancer Cell Lines

All present enzymatic activity of Selective Inhibition of Carbonic Anhydrase IX Activity, Using Compound Slc-149, Displays Limited Anticancer Effects in Breast Cancer Cell Lines:
4.2.1.1;

Protein crystallography data

The structure of Selective Inhibition of Carbonic Anhydrase IX Activity, Using Compound Slc-149, Displays Limited Anticancer Effects in Breast Cancer Cell Lines, PDB code: 6nm0 was solved by S.Singh, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.63 / 1.44
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.562, 41.529, 72.027, 90.00, 104.27, 90.00
R / Rfree (%) 16.6 / 18

Other elements in 6nm0:

The structure of Selective Inhibition of Carbonic Anhydrase IX Activity, Using Compound Slc-149, Displays Limited Anticancer Effects in Breast Cancer Cell Lines also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Selective Inhibition of Carbonic Anhydrase IX Activity, Using Compound Slc-149, Displays Limited Anticancer Effects in Breast Cancer Cell Lines (pdb code 6nm0). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Selective Inhibition of Carbonic Anhydrase IX Activity, Using Compound Slc-149, Displays Limited Anticancer Effects in Breast Cancer Cell Lines, PDB code: 6nm0:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 6nm0

Go back to Fluorine Binding Sites List in 6nm0
Fluorine binding site 1 out of 2 in the Selective Inhibition of Carbonic Anhydrase IX Activity, Using Compound Slc-149, Displays Limited Anticancer Effects in Breast Cancer Cell Lines


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Selective Inhibition of Carbonic Anhydrase IX Activity, Using Compound Slc-149, Displays Limited Anticancer Effects in Breast Cancer Cell Lines within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:32.6
occ:1.00
FAW A:KRY302 0.0 32.6 1.0
CAR A:KRY302 1.4 32.5 1.0
CAS A:KRY302 2.4 30.3 1.0
CAQ A:KRY302 2.4 30.7 1.0
NAN A:KRY302 2.7 25.9 1.0
CAO A:KRY302 3.2 27.5 1.0
CAM A:KRY302 3.4 24.1 1.0
OAP A:KRY302 3.5 35.1 1.0
CAT A:KRY302 3.6 33.5 1.0
CAV A:KRY302 3.7 31.6 1.0
CG A:PRO202 3.8 15.4 1.0
CD A:PRO202 3.9 13.2 1.0
CD1 A:LEU198 4.0 12.9 1.0
NAK A:KRY302 4.1 18.6 1.0
CAU A:KRY302 4.1 32.1 1.0
CAL A:KRY302 4.2 21.7 1.0
CG1 A:VAL135 4.2 15.6 1.0
CG2 A:VAL135 4.3 15.1 1.0
CD1 A:LEU204 4.4 17.4 1.0
CE2 A:PHE131 4.5 15.4 1.0
CB A:VAL135 4.5 13.8 1.0
FAX A:KRY302 4.7 43.0 1.0

Fluorine binding site 2 out of 2 in 6nm0

Go back to Fluorine Binding Sites List in 6nm0
Fluorine binding site 2 out of 2 in the Selective Inhibition of Carbonic Anhydrase IX Activity, Using Compound Slc-149, Displays Limited Anticancer Effects in Breast Cancer Cell Lines


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Selective Inhibition of Carbonic Anhydrase IX Activity, Using Compound Slc-149, Displays Limited Anticancer Effects in Breast Cancer Cell Lines within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:43.0
occ:1.00
FAX A:KRY302 0.0 43.0 1.0
CAT A:KRY302 1.4 33.5 1.0
CAS A:KRY302 2.4 30.3 1.0
CAU A:KRY302 2.4 32.1 1.0
CAR A:KRY302 3.6 32.5 1.0
CAV A:KRY302 3.7 31.6 1.0
CA A:GLY132 3.8 13.1 1.0
CAQ A:KRY302 4.1 30.7 1.0
CD2 A:PHE131 4.3 13.7 1.0
N A:GLY132 4.4 13.2 1.0
CE2 A:PHE131 4.6 15.4 1.0
FAW A:KRY302 4.7 32.6 1.0

Reference:

S.Singh, R.Mckenna, M.Y.Mboge, A.Wolff, S.C.Clark, T.Chingkuang, C.T.Supuran, Z.Zhang, S.C.Frost. Selective Inhibition of Carbonic Anhydrase IX Activity, Using Compound Slc-149, Displays Limited Anticancer Effects in Breast Cancer Cell Lines To Be Published.
Page generated: Thu Aug 1 23:09:20 2024

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