Zinc in PDB 1xev: Crystal Structure of Human Carbonic Anhydrase II in A New Crystal Form

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in A New Crystal Form:
4.2.1.1;

The structure of Crystal Structure of Human Carbonic Anhydrase II in A New Crystal Form, PDB code: 1xev was solved by P.A.Mazumdar, D.Kumaran, A.K.Das, S.Swaminathan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.706, 147.100, 76.446, 90.00, 91.33, 90.00
R / Rfree (%)	21 / 26

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase II in A New Crystal Form (pdb code 1xev). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Human Carbonic Anhydrase II in A New Crystal Form, PDB code: 1xev:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of Human Carbonic Anhydrase II in A New Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Carbonic Anhydrase II in A New Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn262 b:12.5 occ:1.00 O A:HOH395 2.1 8.2 1.0 ND1 A:HIS119 2.2 7.1 1.0 NE2 A:HIS96 2.3 4.4 1.0 NE2 A:HIS94 2.3 5.8 1.0 CE1 A:HIS119 3.0 8.4 1.0 CD2 A:HIS94 3.1 5.5 1.0 CD2 A:HIS96 3.2 3.5 1.0 CE1 A:HIS96 3.3 2.0 1.0 CG A:HIS119 3.4 8.4 1.0 CE1 A:HIS94 3.4 3.5 1.0 O A:HOH396 3.5 32.0 1.0 OG1 A:THR199 3.8 7.6 1.0 CB A:HIS119 3.8 5.6 1.0 O A:HOH317 3.9 19.7 1.0 NE2 A:HIS119 4.2 6.8 1.0 OE1 A:GLU106 4.2 9.9 1.0 O A:HOH360 4.3 16.1 1.0 CG A:HIS94 4.3 5.7 1.0 CD2 A:HIS119 4.4 7.1 1.0 CG A:HIS96 4.4 4.8 1.0 ND1 A:HIS96 4.4 4.3 1.0 ND1 A:HIS94 4.5 2.1 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of Human Carbonic Anhydrase II in A New Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human Carbonic Anhydrase II in A New Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn562 b:13.3 occ:1.00 O B:HOH713 2.0 13.0 1.0 ND1 B:HIS119 2.2 4.3 1.0 NE2 B:HIS94 2.3 11.1 1.0 NE2 B:HIS96 2.3 6.5 1.0 CE1 B:HIS119 3.0 6.6 1.0 CD2 B:HIS94 3.0 9.8 1.0 CD2 B:HIS96 3.2 7.8 1.0 CE1 B:HIS96 3.2 4.6 1.0 CG B:HIS119 3.3 7.6 1.0 CE1 B:HIS94 3.4 9.2 1.0 OG1 B:THR199 3.7 7.3 1.0 O B:HOH637 3.8 16.5 1.0 CB B:HIS119 3.8 6.0 1.0 OE1 B:GLU106 4.1 10.4 1.0 NE2 B:HIS119 4.2 6.5 1.0 O B:HOH664 4.2 15.3 1.0 O B:HOH714 4.2 30.4 1.0 CG B:HIS94 4.3 9.4 1.0 ND1 B:HIS96 4.3 8.0 1.0 CG B:HIS96 4.4 8.3 1.0 CD2 B:HIS119 4.4 4.9 1.0 ND1 B:HIS94 4.4 8.6 1.0 CD B:GLU106 4.9 11.3 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of Human Carbonic Anhydrase II in A New Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Human Carbonic Anhydrase II in A New Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn862 b:9.3 occ:1.00 O C:HOH1031 2.0 14.6 1.0 NE2 C:HIS94 2.0 5.0 1.0 ND1 C:HIS119 2.1 4.0 1.0 NE2 C:HIS96 2.3 4.9 1.0 CE1 C:HIS119 2.9 2.5 1.0 CD2 C:HIS94 3.0 5.2 1.0 CE1 C:HIS94 3.1 5.3 1.0 CD2 C:HIS96 3.3 7.1 1.0 CE1 C:HIS96 3.3 6.1 1.0 CG C:HIS119 3.3 3.9 1.0 O C:HOH1034 3.8 20.2 1.0 CB C:HIS119 3.8 3.2 1.0 OG1 C:THR199 3.9 5.7 1.0 NE2 C:HIS119 4.1 4.1 1.0 CG C:HIS94 4.1 5.6 1.0 ND1 C:HIS94 4.2 7.1 1.0 OE1 C:GLU106 4.2 8.8 1.0 O C:HOH1032 4.3 23.5 1.0 CD2 C:HIS119 4.3 2.0 1.0 ND1 C:HIS96 4.4 5.3 1.0 CG C:HIS96 4.4 8.5 1.0 O C:HOH1033 5.0 19.7 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of Human Carbonic Anhydrase II in A New Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Human Carbonic Anhydrase II in A New Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn999 b:9.5 occ:1.00 O D:HOH1140 2.0 21.6 1.0 NE2 D:HIS94 2.1 6.6 1.0 ND1 D:HIS119 2.2 6.5 1.0 NE2 D:HIS96 2.3 10.4 1.0 CD2 D:HIS94 3.0 6.4 1.0 CE1 D:HIS119 3.0 7.3 1.0 CD2 D:HIS96 3.2 10.2 1.0 CE1 D:HIS94 3.2 5.2 1.0 CG D:HIS119 3.4 7.0 1.0 CE1 D:HIS96 3.4 9.6 1.0 OG1 D:THR199 3.8 9.9 1.0 O D:HOH1141 3.8 20.8 1.0 CB D:HIS119 3.8 7.4 1.0 O D:HOH1094 4.0 15.5 1.0 O D:HOH1072 4.1 28.8 1.0 NE2 D:HIS119 4.2 7.0 1.0 CG D:HIS94 4.2 4.2 1.0 OE1 D:GLU106 4.2 12.6 1.0 ND1 D:HIS94 4.3 3.1 1.0 CD2 D:HIS119 4.4 6.7 1.0 CG D:HIS96 4.4 9.5 1.0 ND1 D:HIS96 4.4 9.9 1.0

P.A.Mazumdar, D.Kumaran, A.K.Das, S.Swaminathan. Crystal Structure of Human Carbonic Anhydrase II in A New Crystal Form To Be Published.