Fluorine in PDB 5msa: Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide:
4.2.1.1;

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide, PDB code: 5msa was solved by A.Smirnov, E.Manakova, S.Grazulis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.64 / 1.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.170, 74.157, 91.559, 90.00, 108.85, 90.00
R / Rfree (%)	14.1 / 17.8

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 28;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide (pdb code 5msa). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 28 binding sites of Fluorine where determined in the Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide, PDB code: 5msa:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 28 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:15.5 occ:0.50 F18 A:3TV302 0.0 15.5 0.5 F18 A:3TV302 0.2 26.5 0.5 C7 A:3TV302 1.3 18.3 0.5 C7 A:3TV302 1.3 11.5 0.5 C6 A:3TV302 2.3 15.2 0.5 C6 A:3TV302 2.3 12.1 0.5 C8 A:3TV302 2.4 26.1 0.5 C8 A:3TV302 2.4 14.5 0.5 F17 A:3TV302 2.6 16.0 0.5 F17 A:3TV302 2.6 12.6 0.5 S11 A:3TV302 3.1 24.8 0.5 C12 A:3TV302 3.1 28.0 0.5 S11 A:3TV302 3.1 50.5 0.5 CD1 A:LEU139 3.4 13.8 1.0 C13 A:3TV302 3.4 31.4 0.5 CG1 A:VAL119 3.4 12.0 1.0 C5 A:3TV302 3.6 11.7 0.5 C9 A:3TV302 3.6 18.3 0.5 C5 A:3TV302 3.6 10.4 0.5 C9 A:3TV302 3.7 15.2 0.5 CD2 A:LEU197 3.9 21.0 1.0 CG A:LEU197 3.9 14.0 1.0 C10 A:3TV302 4.1 15.7 0.5 C12 A:3TV302 4.1 21.9 0.5 C10 A:3TV302 4.1 13.6 0.5 C14 A:3TV302 4.2 30.9 0.5 CD2 A:LEU139 4.4 15.3 1.0 CG A:LEU139 4.5 13.5 1.0 CG2 A:VAL119 4.5 10.9 1.0 CD1 A:LEU197 4.5 18.9 1.0 CB A:VAL119 4.6 10.3 1.0 F15 A:3TV302 4.7 20.4 0.5 F15 A:3TV302 4.8 25.9 0.5 S1 A:3TV302 5.0 10.6 0.5

Fluorine binding site 2 out of 28 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:26.5 occ:0.50 F18 A:3TV302 0.0 26.5 0.5 F18 A:3TV302 0.2 15.5 0.5 C7 A:3TV302 1.3 18.3 0.5 C7 A:3TV302 1.4 11.5 0.5 C6 A:3TV302 2.4 15.2 0.5 C8 A:3TV302 2.4 26.1 0.5 C6 A:3TV302 2.4 12.1 0.5 C8 A:3TV302 2.5 14.5 0.5 F17 A:3TV302 2.6 16.0 0.5 F17 A:3TV302 2.7 12.6 0.5 S11 A:3TV302 3.1 24.8 0.5 S11 A:3TV302 3.1 50.5 0.5 C12 A:3TV302 3.1 28.0 0.5 CD1 A:LEU139 3.3 13.8 1.0 C13 A:3TV302 3.4 31.4 0.5 CG1 A:VAL119 3.6 12.0 1.0 C9 A:3TV302 3.6 18.3 0.5 C5 A:3TV302 3.6 11.7 0.5 C5 A:3TV302 3.7 10.4 0.5 C9 A:3TV302 3.7 15.2 0.5 CD2 A:LEU197 3.7 21.0 1.0 CG A:LEU197 3.8 14.0 1.0 C12 A:3TV302 4.0 21.9 0.5 C14 A:3TV302 4.1 30.9 0.5 C10 A:3TV302 4.1 15.7 0.5 C10 A:3TV302 4.2 13.6 0.5 CD1 A:LEU197 4.4 18.9 1.0 CG A:LEU139 4.4 13.5 1.0 CD2 A:LEU139 4.4 15.3 1.0 CG2 A:VAL119 4.7 10.9 1.0 F15 A:3TV302 4.7 20.4 0.5 CB A:VAL119 4.8 10.3 1.0 F15 A:3TV302 4.9 25.9 0.5

Fluorine binding site 3 out of 28 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:12.6 occ:0.50 F17 A:3TV302 0.0 12.6 0.5 F17 A:3TV302 0.1 16.0 0.5 C6 A:3TV302 1.4 12.1 0.5 C6 A:3TV302 1.4 15.2 0.5 C7 A:3TV302 2.4 11.5 0.5 C5 A:3TV302 2.4 10.4 0.5 C5 A:3TV302 2.4 11.7 0.5 C7 A:3TV302 2.4 18.3 0.5 F18 A:3TV302 2.6 15.5 0.5 F18 A:3TV302 2.7 26.5 0.5 O4 A:3TV302 2.8 9.8 0.5 S1 A:3TV302 2.9 10.6 0.5 O3 A:3TV302 2.9 10.8 0.5 S1 A:3TV302 2.9 8.9 0.5 O4 A:3TV302 3.0 9.2 0.5 O3 A:3TV302 3.0 9.9 0.5 CG2 A:VAL141 3.4 10.1 1.0 C10 A:3TV302 3.6 13.6 0.5 C8 A:3TV302 3.6 14.5 0.5 C10 A:3TV302 3.6 15.7 0.5 C8 A:3TV302 3.7 26.1 0.5 CG A:LEU197 3.8 14.0 1.0 C9 A:3TV302 4.0 15.2 0.5 CG1 A:VAL119 4.1 12.0 1.0 CG2 A:VAL119 4.1 10.9 1.0 C9 A:3TV302 4.1 18.3 0.5 CG2 A:VAL206 4.2 11.0 1.0 CD1 A:LEU139 4.4 13.8 1.0 N2 A:3TV302 4.4 9.9 0.5 CA A:LEU197 4.4 9.2 1.0 CB A:LEU197 4.5 11.0 1.0 N2 A:3TV302 4.5 9.4 0.5 CD2 A:LEU197 4.5 21.0 1.0 CD1 A:LEU197 4.6 18.9 1.0 F16 A:3TV302 4.7 16.5 0.5 CB A:VAL141 4.7 8.4 1.0 CB A:VAL119 4.7 10.3 1.0 F16 A:3TV302 4.8 27.6 0.5 CG1 A:VAL141 5.0 10.1 1.0

Fluorine binding site 4 out of 28 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:16.0 occ:0.50 F17 A:3TV302 0.0 16.0 0.5 F17 A:3TV302 0.1 12.6 0.5 C6 A:3TV302 1.3 12.1 0.5 C6 A:3TV302 1.4 15.2 0.5 C7 A:3TV302 2.3 11.5 0.5 C7 A:3TV302 2.3 18.3 0.5 C5 A:3TV302 2.3 10.4 0.5 C5 A:3TV302 2.4 11.7 0.5 F18 A:3TV302 2.6 15.5 0.5 F18 A:3TV302 2.6 26.5 0.5 O4 A:3TV302 2.8 9.8 0.5 S1 A:3TV302 2.9 10.6 0.5 S1 A:3TV302 3.0 8.9 0.5 O4 A:3TV302 3.0 9.2 0.5 O3 A:3TV302 3.0 10.8 0.5 O3 A:3TV302 3.1 9.9 0.5 CG2 A:VAL141 3.5 10.1 1.0 C8 A:3TV302 3.5 14.5 0.5 C10 A:3TV302 3.5 13.6 0.5 C8 A:3TV302 3.6 26.1 0.5 C10 A:3TV302 3.6 15.7 0.5 CG A:LEU197 3.7 14.0 1.0 C9 A:3TV302 4.0 15.2 0.5 C9 A:3TV302 4.0 18.3 0.5 CG1 A:VAL119 4.1 12.0 1.0 CG2 A:VAL119 4.1 10.9 1.0 CG2 A:VAL206 4.2 11.0 1.0 CD1 A:LEU139 4.3 13.8 1.0 CB A:LEU197 4.4 11.0 1.0 CA A:LEU197 4.4 9.2 1.0 CD2 A:LEU197 4.4 21.0 1.0 N2 A:3TV302 4.4 9.9 0.5 N2 A:3TV302 4.5 9.4 0.5 CD1 A:LEU197 4.6 18.9 1.0 F16 A:3TV302 4.7 16.5 0.5 F16 A:3TV302 4.7 27.6 0.5 CB A:VAL119 4.8 10.3 1.0 CB A:VAL141 4.8 8.4 1.0

Fluorine binding site 5 out of 28 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:25.9 occ:0.50 F15 A:3TV302 0.0 25.9 0.5 F15 A:3TV302 0.4 20.4 0.5 C9 A:3TV302 1.3 18.3 0.5 C9 A:3TV302 1.3 15.2 0.5 C10 A:3TV302 2.0 15.7 0.5 C10 A:3TV302 2.2 13.6 0.5 F16 A:3TV302 2.2 27.6 0.5 C8 A:3TV302 2.4 14.5 0.5 F16 A:3TV302 2.5 16.5 0.5 C8 A:3TV302 2.5 26.1 0.5 O A:HOH681 3.0 25.4 1.0 S11 A:3TV302 3.1 24.8 0.5 O A:HOH745 3.2 35.4 1.0 O A:HOH654 3.2 23.6 1.0 O A:HOH428 3.3 25.7 1.0 S11 A:3TV302 3.3 50.5 0.5 C5 A:3TV302 3.3 11.7 0.5 C5 A:3TV302 3.5 10.4 0.5 O A:HOH693 3.5 47.2 1.0 C12 A:3TV302 3.6 21.9 0.5 OG1 A:THR199 3.6 20.8 1.0 C7 A:3TV302 3.6 11.5 0.5 C7 A:3TV302 3.7 18.3 0.5 NE2 A:GLN89 3.9 20.8 1.0 C6 A:3TV302 3.9 15.2 0.5 C6 A:3TV302 4.0 12.1 0.5 CE1 A:HIS91 4.4 8.9 1.0 C13 A:3TV302 4.4 27.7 0.5 C12 A:3TV302 4.4 28.0 0.5 CB A:THR199 4.6 15.2 1.0 C14 A:3TV302 4.7 29.0 0.5 CG2 A:THR199 4.7 15.4 1.0 ND1 A:HIS91 4.7 8.7 1.0 S1 A:3TV302 4.8 10.6 0.5 F18 A:3TV302 4.8 15.5 0.5 F18 A:3TV302 4.9 26.5 0.5 NE2 A:HIS91 4.9 7.8 1.0 N2 A:3TV302 4.9 9.9 0.5 S1 A:3TV302 4.9 8.9 0.5 N2 A:3TV302 5.0 9.4 0.5

Fluorine binding site 6 out of 28 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:20.4 occ:0.50 F15 A:3TV302 0.0 20.4 0.5 F15 A:3TV302 0.4 25.9 0.5 C9 A:3TV302 1.3 18.3 0.5 C9 A:3TV302 1.4 15.2 0.5 C10 A:3TV302 2.2 15.7 0.5 C8 A:3TV302 2.3 14.5 0.5 C8 A:3TV302 2.4 26.1 0.5 C10 A:3TV302 2.4 13.6 0.5 F16 A:3TV302 2.5 27.6 0.5 F16 A:3TV302 2.7 16.5 0.5 S11 A:3TV302 2.9 24.8 0.5 O A:HOH681 2.9 25.4 1.0 O A:HOH745 3.0 35.4 1.0 O A:HOH428 3.0 25.7 1.0 S11 A:3TV302 3.1 50.5 0.5 C12 A:3TV302 3.2 21.9 0.5 O A:HOH654 3.4 23.6 1.0 C5 A:3TV302 3.5 11.7 0.5 C7 A:3TV302 3.6 11.5 0.5 OG1 A:THR199 3.6 20.8 1.0 C7 A:3TV302 3.6 18.3 0.5 C5 A:3TV302 3.6 10.4 0.5 O A:HOH693 3.7 47.2 1.0 C6 A:3TV302 4.0 15.2 0.5 C6 A:3TV302 4.0 12.1 0.5 NE2 A:GLN89 4.0 20.8 1.0 C13 A:3TV302 4.1 27.7 0.5 C12 A:3TV302 4.3 28.0 0.5 C14 A:3TV302 4.3 29.0 0.5 CB A:THR199 4.6 15.2 1.0 F18 A:3TV302 4.7 15.5 0.5 CE1 A:HIS91 4.7 8.9 1.0 F18 A:3TV302 4.7 26.5 0.5 CG2 A:THR199 4.8 15.4 1.0

Fluorine binding site 7 out of 28 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:16.5 occ:0.50 F16 A:3TV302 0.0 16.5 0.5 F16 A:3TV302 0.3 27.6 0.5 C10 A:3TV302 1.3 13.6 0.5 C10 A:3TV302 1.4 15.7 0.5 C5 A:3TV302 2.3 11.7 0.5 C9 A:3TV302 2.3 15.2 0.5 C5 A:3TV302 2.3 10.4 0.5 F15 A:3TV302 2.5 25.9 0.5 C9 A:3TV302 2.5 18.3 0.5 N2 A:3TV302 2.5 9.9 0.5 N2 A:3TV302 2.6 9.4 0.5 F15 A:3TV302 2.7 20.4 0.5 S1 A:3TV302 2.9 10.6 0.5 S1 A:3TV302 3.0 8.9 0.5 OG1 A:THR199 3.2 20.8 1.0 NE2 A:HIS91 3.2 7.8 1.0 CE1 A:HIS91 3.3 8.9 1.0 ZN A:ZN301 3.4 7.9 1.0 CG2 A:THR199 3.5 15.4 1.0 C6 A:3TV302 3.6 12.1 0.5 C6 A:3TV302 3.6 15.2 0.5 C8 A:3TV302 3.6 14.5 0.5 O3 A:3TV302 3.7 10.8 0.5 C8 A:3TV302 3.8 26.1 0.5 O3 A:3TV302 3.8 9.9 0.5 O A:HOH693 3.9 47.2 1.0 O4 A:3TV302 3.9 9.8 0.5 CB A:THR199 4.0 15.2 1.0 O4 A:3TV302 4.1 9.2 0.5 C7 A:3TV302 4.1 11.5 0.5 CD2 A:HIS91 4.1 8.9 1.0 ND1 A:HIS91 4.2 8.7 1.0 C7 A:3TV302 4.2 18.3 0.5 O A:HOH654 4.2 23.6 1.0 NE2 A:HIS93 4.5 8.1 1.0 CE1 A:HIS93 4.6 8.5 1.0 O A:HOH428 4.6 25.7 1.0 CG A:HIS91 4.6 8.7 1.0 OG1 A:THR198 4.7 8.8 1.0 F17 A:3TV302 4.7 16.0 0.5 F17 A:3TV302 4.7 12.6 0.5 N A:THR199 4.9 10.3 1.0

Fluorine binding site 8 out of 28 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:27.6 occ:0.50 F16 A:3TV302 0.0 27.6 0.5 F16 A:3TV302 0.3 16.5 0.5 C10 A:3TV302 1.3 13.6 0.5 C10 A:3TV302 1.3 15.7 0.5 C9 A:3TV302 2.1 15.2 0.5 F15 A:3TV302 2.2 25.9 0.5 C9 A:3TV302 2.3 18.3 0.5 C5 A:3TV302 2.4 11.7 0.5 C5 A:3TV302 2.4 10.4 0.5 F15 A:3TV302 2.5 20.4 0.5 N2 A:3TV302 2.8 9.9 0.5 N2 A:3TV302 2.8 9.4 0.5 OG1 A:THR199 3.1 20.8 1.0 S1 A:3TV302 3.1 10.6 0.5 S1 A:3TV302 3.2 8.9 0.5 CE1 A:HIS91 3.4 8.9 1.0 NE2 A:HIS91 3.5 7.8 1.0 C8 A:3TV302 3.5 14.5 0.5 CG2 A:THR199 3.5 15.4 1.0 C6 A:3TV302 3.6 15.2 0.5 C8 A:3TV302 3.6 26.1 0.5 C6 A:3TV302 3.6 12.1 0.5 ZN A:ZN301 3.7 7.9 1.0 O A:HOH693 3.8 47.2 1.0 O3 A:3TV302 3.9 10.8 0.5 CB A:THR199 3.9 15.2 1.0 O3 A:3TV302 4.0 9.9 0.5 C7 A:3TV302 4.0 11.5 0.5 O A:HOH654 4.1 23.6 1.0 O4 A:3TV302 4.1 9.8 0.5 C7 A:3TV302 4.1 18.3 0.5 O4 A:3TV302 4.2 9.2 0.5 ND1 A:HIS91 4.3 8.7 1.0 CD2 A:HIS91 4.3 8.9 1.0 O A:HOH428 4.3 25.7 1.0 NE2 A:HIS93 4.7 8.1 1.0 F17 A:3TV302 4.7 16.0 0.5 CG A:HIS91 4.7 8.7 1.0 O A:HOH745 4.8 35.4 1.0 F17 A:3TV302 4.8 12.6 0.5 CE1 A:HIS93 4.8 8.5 1.0 OG1 A:THR198 4.9 8.8 1.0 S11 A:3TV302 4.9 24.8 0.5 N A:THR199 4.9 10.3 1.0 O A:HOH681 5.0 25.4 1.0

Fluorine binding site 9 out of 28 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ B:F302 b:11.5 occ:0.50 F18 B:3TV302 0.0 11.5 0.5 C7 B:3TV302 1.4 10.2 0.5 C6 B:3TV302 2.3 8.6 0.5 C8 B:3TV302 2.3 11.4 0.5 F17 B:3TV302 2.6 8.5 0.5 OG1 B:THR199 2.6 15.6 1.0 S11 B:3TV302 2.8 15.7 0.5 C7 B:3TV302 3.0 17.0 0.5 F18 B:3TV302 3.0 23.9 0.5 O B:PRO200 3.2 10.8 1.0 C6 B:3TV302 3.4 14.4 0.5 CD1 B:LEU197 3.4 17.4 1.0 C8 B:3TV302 3.5 17.0 0.5 O B:THR199 3.5 9.3 1.0 C9 B:3TV302 3.6 10.7 0.5 C5 B:3TV302 3.7 8.7 0.5 F17 B:3TV302 3.7 26.3 0.5 O B:HOH503 3.8 22.1 1.0 C12 B:3TV302 3.8 37.4 0.5 CB B:LEU197 3.8 8.7 1.0 C B:PRO200 3.9 9.7 1.0 CB B:THR199 3.9 14.0 1.0 CG B:LEU197 4.0 11.9 1.0 C B:THR199 4.0 9.0 1.0 O B:HOH535 4.0 31.5 1.0 S11 B:3TV302 4.0 27.3 0.5 CD B:PRO201 4.1 9.7 0.5 C5 B:3TV302 4.1 11.6 0.5 C10 B:3TV302 4.1 10.8 0.5 CD B:PRO201 4.2 14.2 0.5 C9 B:3TV302 4.2 13.4 0.5 N B:PRO201 4.3 9.2 0.5 CD2 B:LEU197 4.3 14.8 1.0 N B:THR199 4.3 8.9 1.0 CA B:THR199 4.3 9.5 1.0 N B:PRO201 4.4 10.7 0.5 O B:HOH406 4.4 29.0 1.0 O6 B:CIT305 4.4 36.4 0.5 C10 B:3TV302 4.5 12.1 0.5 C12 B:3TV302 4.5 15.5 0.5 CG2 B:THR199 4.6 14.7 1.0 F15 B:3TV302 4.7 17.1 0.5 N B:PRO200 4.7 9.1 1.0 C13 B:3TV302 4.9 15.2 0.5 C13 B:3TV302 4.9 36.4 0.5 O B:HOH669 5.0 29.3 1.0 CA B:LEU197 5.0 7.8 1.0 CA B:PRO200 5.0 9.0 1.0

Fluorine binding site 10 out of 28 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ B:F302 b:23.9 occ:0.50 F18 B:3TV302 0.0 23.9 0.5 C7 B:3TV302 1.3 17.0 0.5 C8 B:3TV302 1.9 11.4 0.5 C7 B:3TV302 2.2 10.2 0.5 C9 B:3TV302 2.3 10.7 0.5 C6 B:3TV302 2.3 14.4 0.5 C8 B:3TV302 2.3 17.0 0.5 F17 B:3TV302 2.6 26.3 0.5 C6 B:3TV302 2.8 8.6 0.5 O6 B:CIT305 2.9 36.4 0.5 C10 B:3TV302 2.9 10.8 0.5 S11 B:3TV302 2.9 15.7 0.5 S11 B:3TV302 2.9 27.3 0.5 F18 B:3TV302 3.0 11.5 0.5 O B:HOH422 3.0 24.4 1.0 F15 B:3TV302 3.1 17.1 0.5 O B:HOH669 3.1 29.3 1.0 O5 B:CIT305 3.1 22.4 0.5 O B:HOH535 3.1 31.5 1.0 C6 B:CIT305 3.2 25.0 0.5 C5 B:3TV302 3.2 8.7 0.5 O B:HOH406 3.4 29.0 1.0 C5 B:3TV302 3.5 11.6 0.5 C9 B:3TV302 3.6 13.4 0.5 O B:HOH679 3.7 31.7 1.0 F17 B:3TV302 3.7 8.5 0.5 F16 B:3TV302 3.8 14.4 0.5 C10 B:3TV302 4.0 12.1 0.5 OG1 B:THR199 4.0 15.6 1.0 C12 B:3TV302 4.1 15.5 0.5 C12 B:3TV302 4.1 37.4 0.5 NE2 B:GLN89 4.4 13.6 1.0 C3 B:CIT305 4.4 22.6 0.5 C4 B:CIT305 4.5 23.2 0.5 O B:HOH503 4.6 22.1 1.0 F15 B:3TV302 4.7 22.6 0.5 S1 B:3TV302 4.9 8.3 0.5 S1 B:3TV302 4.9 9.6 0.5 CE1 B:HIS91 4.9 7.0 1.0 C13 B:3TV302 4.9 15.2 0.5 N2 B:3TV302 5.0 9.9 0.5

A.Smirnov, E.Manakova, S.Grazulis, D.Matulis, V.Dudutiene. Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2,3,5,6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide To Be Published.