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Fluorine in PDB 6nlv: 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: 6nlv 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) 19.77 / 1.79
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.719, 41.110, 71.546, 90.00, 103.65, 90.00
R / Rfree (%) 21.7 / 25.5

Other elements in 6nlv:

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 6nlv). 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: 6nlv:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 6nlv

Go back to Fluorine Binding Sites List in 6nlv
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:47.5
occ:1.00
FAW A:KRY302 0.0 47.5 1.0
CAR A:KRY302 1.4 39.1 1.0
CAQ A:KRY302 2.4 34.7 1.0
CAS A:KRY302 2.4 31.3 1.0
NAN A:KRY302 2.7 37.5 1.0
CAM A:KRY302 3.0 34.4 1.0
CAO A:KRY302 3.6 33.8 1.0
CAT A:KRY302 3.7 37.5 1.0
CAV A:KRY302 3.7 33.1 1.0
CG1 A:VAL135 3.7 18.9 1.0
CG2 A:VAL135 3.8 24.5 1.0
CAL A:KRY302 4.0 29.5 1.0
CB A:VAL135 4.1 13.3 1.0
CAU A:KRY302 4.2 30.1 1.0
OAP A:KRY302 4.2 30.4 1.0
CD A:PRO202 4.2 18.2 1.0
CG A:PRO202 4.3 22.2 1.0
NAK A:KRY302 4.3 28.5 1.0
CD1 A:LEU198 4.5 21.9 1.0
FAX A:KRY302 4.8 43.3 1.0

Fluorine binding site 2 out of 2 in 6nlv

Go back to Fluorine Binding Sites List in 6nlv
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:43.3
occ:1.00
FAX A:KRY302 0.0 43.3 1.0
CAT A:KRY302 1.4 37.5 1.0
CAS A:KRY302 2.4 31.3 1.0
CAU A:KRY302 2.4 30.1 1.0
CA A:GLY132 3.2 17.7 1.0
N A:GLY132 3.3 19.1 1.0
CG1 A:VAL131 3.6 19.8 1.0
CAR A:KRY302 3.6 39.1 1.0
CAV A:KRY302 3.7 33.1 1.0
C A:VAL131 4.1 14.1 1.0
CAQ A:KRY302 4.1 34.7 1.0
O A:VAL131 4.6 15.9 1.0
CB A:VAL131 4.7 16.2 1.0
C A:GLY132 4.7 17.1 1.0
FAW A:KRY302 4.8 47.5 1.0
CA A:VAL131 4.9 15.8 1.0
CG2 A:VAL131 5.0 9.7 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: Tue Jul 15 13:47:10 2025

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