Zinc in PDB 6tl6: Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide

All present enzymatic activity of Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide:
4.2.1.1;

The structure of Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide, PDB code: 6tl6 was solved by J.Leitans, K.Tars, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.09 / 2.15
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	152.902, 152.902, 171.584, 90.00, 90.00, 120.00
R / Rfree (%)	16.1 / 19.5

The binding sites of Zinc atom in the Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide (pdb code 6tl6). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide, PDB code: 6tl6:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:43.1 occ:1.00 NE2 A:HIS94 1.9 30.6 1.0 N14 A:MUE302 2.0 61.5 1.0 ND1 A:HIS119 2.1 34.4 1.0 NE2 A:HIS96 2.2 53.5 1.0 O13 A:MUE302 2.8 49.1 1.0 CD2 A:HIS94 2.9 35.0 1.0 CE1 A:HIS94 3.0 34.9 1.0 S11 A:MUE302 3.0 58.0 1.0 CE1 A:HIS119 3.0 38.9 1.0 CD2 A:HIS96 3.1 46.6 1.0 CG A:HIS119 3.1 34.6 1.0 CE1 A:HIS96 3.2 48.4 1.0 CB A:HIS119 3.5 38.6 1.0 OE2 A:GLU106 3.7 46.6 1.0 O12 A:MUE302 3.9 45.4 1.0 CG A:HIS94 4.0 33.3 1.0 ND1 A:HIS94 4.1 33.4 1.0 OG1 A:THR199 4.1 43.5 1.0 NE2 A:HIS119 4.2 37.0 1.0 CD2 A:HIS119 4.3 38.7 1.0 CG A:HIS96 4.3 48.3 1.0 ND1 A:HIS96 4.3 46.0 1.0 C6 A:MUE302 4.3 54.0 1.0 C1 A:GOL303 4.7 86.3 1.0 CH2 A:TRP209 4.8 38.0 1.0 CD A:GLU106 4.8 44.5 1.0 CA A:HIS119 5.0 34.9 1.0

Zinc binding site 2 out of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:34.0 occ:1.00 NE2 B:HIS96 2.1 26.8 1.0 NE2 B:HIS94 2.1 27.3 1.0 N14 B:MUE302 2.2 74.6 1.0 ND1 B:HIS119 2.2 26.1 1.0 O13 B:MUE302 2.6 47.8 1.0 CD2 B:HIS94 3.0 28.2 1.0 S11 B:MUE302 3.1 62.4 1.0 CD2 B:HIS96 3.1 29.6 1.0 CE1 B:HIS96 3.1 29.6 1.0 CE1 B:HIS119 3.1 25.8 1.0 CE1 B:HIS94 3.2 27.7 1.0 CG B:HIS119 3.3 27.0 1.0 CB B:HIS119 3.7 25.4 1.0 OE2 B:GLU106 3.9 43.5 1.0 O12 B:MUE302 3.9 66.5 1.0 OG1 B:THR199 4.1 47.2 1.0 CG B:HIS94 4.2 26.0 1.0 ND1 B:HIS96 4.2 31.7 1.0 CG B:HIS96 4.2 29.5 1.0 ND1 B:HIS94 4.3 27.7 1.0 NE2 B:HIS119 4.3 27.1 1.0 CD2 B:HIS119 4.4 28.1 1.0 C6 B:MUE302 4.5 74.1 1.0 C3 B:GOL303 4.5 99.1 1.0 CD B:GLU106 4.7 37.8 1.0 CH2 B:TRP209 4.8 30.9 1.0

Zinc binding site 3 out of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn301 b:39.5 occ:1.00 N14 C:MUE302 2.0 73.4 1.0 NE2 C:HIS96 2.1 35.7 1.0 NE2 C:HIS94 2.1 31.7 1.0 ND1 C:HIS119 2.2 29.5 1.0 O13 C:MUE302 2.8 52.3 1.0 S11 C:MUE302 3.0 70.3 1.0 CE1 C:HIS119 3.0 32.4 1.0 CD2 C:HIS94 3.0 42.3 1.0 CE1 C:HIS96 3.1 36.7 1.0 CD2 C:HIS96 3.1 35.0 1.0 CE1 C:HIS94 3.2 38.1 1.0 CG C:HIS119 3.3 30.4 1.0 CB C:HIS119 3.7 31.1 1.0 OE2 C:GLU106 3.7 57.5 1.0 O12 C:MUE302 3.9 49.1 1.0 OG1 C:THR199 4.0 40.7 1.0 NE2 C:HIS119 4.2 32.2 1.0 ND1 C:HIS96 4.2 36.0 1.0 CG C:HIS96 4.2 36.9 1.0 CG C:HIS94 4.2 40.3 1.0 ND1 C:HIS94 4.3 38.6 1.0 CD2 C:HIS119 4.3 30.0 1.0 C6 C:MUE302 4.3 71.4 1.0 CH2 C:TRP209 4.7 31.7 1.0 CD C:GLU106 4.8 41.7 1.0

Zinc binding site 4 out of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn301 b:38.5 occ:1.00 ND1 D:HIS119 2.0 31.8 1.0 N14 D:MUE302 2.0 59.7 1.0 NE2 D:HIS94 2.1 41.2 1.0 NE2 D:HIS96 2.1 41.5 1.0 O13 D:MUE302 2.6 42.0 1.0 CE1 D:HIS119 2.7 35.2 1.0 S11 D:MUE302 3.0 57.5 1.0 CD2 D:HIS94 3.0 39.2 1.0 CE1 D:HIS96 3.0 36.7 1.0 CE1 D:HIS94 3.1 42.3 1.0 CD2 D:HIS96 3.1 36.3 1.0 CG D:HIS119 3.2 36.8 1.0 CB D:HIS119 3.7 34.9 1.0 OE2 D:GLU106 3.7 51.0 1.0 O12 D:MUE302 3.9 56.1 1.0 NE2 D:HIS119 4.0 32.5 1.0 OG1 D:THR199 4.1 54.0 1.0 ND1 D:HIS96 4.2 36.5 1.0 CG D:HIS94 4.2 40.9 1.0 ND1 D:HIS94 4.2 42.1 1.0 CD2 D:HIS119 4.2 31.7 1.0 CG D:HIS96 4.2 38.5 1.0 C6 D:MUE302 4.4 67.7 1.0 CD D:GLU106 4.7 43.8 1.0 CH2 D:TRP209 4.8 31.0 1.0

J.Leitans, K.Tars. Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide To Be Published.