Zinc in PDB 3imi: 2.01 Angstrom Resolution Crystal Structure of A Hit Family Protein From Bacillus Anthracis Str. 'Ames Ancestor'

The structure of 2.01 Angstrom Resolution Crystal Structure of A Hit Family Protein From Bacillus Anthracis Str. 'Ames Ancestor', PDB code: 3imi was solved by A.S.Halavaty, Z.Wawrzak, T.Skarina, O.Onopriyenko, E.Gordon, L.Papazisi, A.Savchenko, W.F.Anderson, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.01
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	156.276, 46.434, 84.291, 90.00, 100.61, 90.00
R / Rfree (%)	16.1 / 19.8

The binding sites of Zinc atom in the 2.01 Angstrom Resolution Crystal Structure of A Hit Family Protein From Bacillus Anthracis Str. 'Ames Ancestor' (pdb code 3imi). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the 2.01 Angstrom Resolution Crystal Structure of A Hit Family Protein From Bacillus Anthracis Str. 'Ames Ancestor', PDB code: 3imi:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the 2.01 Angstrom Resolution Crystal Structure of A Hit Family Protein From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of 2.01 Angstrom Resolution Crystal Structure of A Hit Family Protein From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:30.3 occ:1.00 ND1 A:HIS50 2.1 16.7 1.0 ND1 A:HIS101 2.1 18.6 1.0 SG A:CYS8 2.3 19.6 1.0 SG A:CYS11 2.3 20.4 1.0 CE1 A:HIS101 3.0 19.4 1.0 CE1 A:HIS50 3.0 17.0 1.0 CG A:HIS50 3.1 16.8 1.0 CB A:CYS8 3.1 18.9 1.0 CG A:HIS101 3.1 17.9 1.0 CB A:HIS50 3.5 16.5 1.0 CB A:CYS11 3.5 22.7 1.0 CB A:HIS101 3.5 20.7 1.0 N A:CYS11 3.6 20.1 1.0 CA A:CYS11 4.0 21.3 1.0 CA A:HIS50 4.0 17.9 1.0 NE2 A:HIS50 4.2 17.5 1.0 NE2 A:HIS101 4.2 18.6 1.0 CD2 A:HIS50 4.2 21.0 1.0 CD2 A:HIS101 4.3 18.5 1.0 C A:PHE10 4.5 20.1 1.0 CA A:CYS8 4.6 20.3 1.0 CA A:HIS101 4.6 21.7 1.0 CA A:ALA5 4.7 29.8 1.0 CB A:PHE10 4.7 20.3 1.0 O A:ALA5 4.9 26.8 1.0 C A:CYS8 4.9 20.3 1.0 CA A:PHE10 4.9 19.5 1.0 O A:CYS8 5.0 20.6 1.0 N A:HIS50 5.0 17.3 1.0 N A:PHE10 5.0 19.0 1.0

Zinc binding site 2 out of 4 in the 2.01 Angstrom Resolution Crystal Structure of A Hit Family Protein From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of 2.01 Angstrom Resolution Crystal Structure of A Hit Family Protein From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn202 b:37.9 occ:1.00 ND1 B:HIS50 2.0 25.0 1.0 SG B:CYS8 2.2 20.8 1.0 ND1 B:HIS101 2.2 14.4 1.0 SG B:CYS11 2.3 23.7 1.0 CE1 B:HIS50 2.9 28.4 1.0 CG B:HIS50 3.1 26.7 1.0 CB B:CYS8 3.2 22.9 1.0 CG B:HIS101 3.2 16.4 1.0 CE1 B:HIS101 3.2 18.1 1.0 CB B:CYS11 3.4 23.3 1.0 CB B:HIS101 3.5 20.6 1.0 CB B:HIS50 3.5 23.7 1.0 N B:CYS11 3.6 22.7 1.0 CA B:CYS11 4.0 24.0 1.0 NE2 B:HIS50 4.0 27.2 1.0 CA B:HIS50 4.1 24.5 1.0 CD2 B:HIS50 4.2 30.1 1.0 NE2 B:HIS101 4.3 14.7 1.0 CD2 B:HIS101 4.4 18.7 1.0 C B:PHE10 4.4 22.2 1.0 CA B:HIS101 4.6 19.9 1.0 CB B:PHE10 4.6 22.2 1.0 CA B:CYS8 4.6 23.2 1.0 CA B:PHE10 4.9 22.4 1.0 C B:CYS8 4.9 23.1 1.0 O B:CYS8 5.0 22.4 1.0 N B:PHE10 5.0 21.9 1.0

Zinc binding site 3 out of 4 in the 2.01 Angstrom Resolution Crystal Structure of A Hit Family Protein From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of 2.01 Angstrom Resolution Crystal Structure of A Hit Family Protein From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn203 b:44.9 occ:0.90 ND1 C:HIS50 1.9 27.3 1.0 ND1 C:HIS101 2.2 21.4 1.0 SG C:CYS11 2.3 23.4 1.0 SG C:CYS8 2.3 17.5 1.0 CE1 C:HIS50 2.7 27.7 1.0 CG C:HIS50 3.0 28.1 1.0 CG C:HIS101 3.1 21.2 1.0 CE1 C:HIS101 3.1 23.4 1.0 CB C:CYS8 3.2 21.2 1.0 CB C:HIS101 3.4 21.7 1.0 CB C:CYS11 3.4 22.1 1.0 N C:CYS11 3.6 21.4 1.0 CB C:HIS50 3.6 26.4 1.0 NE2 C:HIS50 3.9 29.3 1.0 CA C:CYS11 3.9 22.5 1.0 CD2 C:HIS50 4.1 29.4 1.0 CA C:HIS50 4.2 26.1 1.0 NE2 C:HIS101 4.2 22.8 1.0 CD2 C:HIS101 4.3 25.3 1.0 C C:PHE10 4.5 22.0 1.0 CA C:HIS101 4.5 22.1 1.0 CB C:PHE10 4.6 22.3 1.0 CA C:CYS8 4.6 21.8 1.0 CA C:PHE10 4.9 21.9 1.0 O C:CYS8 4.9 19.8 1.0 C C:CYS8 4.9 20.9 1.0 N C:PHE10 5.0 22.2 1.0

Zinc binding site 4 out of 4 in the 2.01 Angstrom Resolution Crystal Structure of A Hit Family Protein From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of 2.01 Angstrom Resolution Crystal Structure of A Hit Family Protein From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn204 b:37.5 occ:1.00 ND1 D:HIS50 2.1 22.8 1.0 ND1 D:HIS101 2.2 25.1 1.0 SG D:CYS8 2.2 24.8 1.0 SG D:CYS11 2.3 28.1 1.0 CE1 D:HIS50 3.0 24.6 1.0 CG D:HIS101 3.1 25.3 1.0 CE1 D:HIS101 3.1 23.8 1.0 CG D:HIS50 3.2 27.7 1.0 CB D:CYS8 3.2 26.3 1.0 CB D:HIS101 3.4 25.1 1.0 CB D:CYS11 3.5 26.3 1.0 CB D:HIS50 3.5 27.8 1.0 N D:CYS11 3.7 25.7 1.0 CA D:CYS11 4.0 26.6 1.0 CA D:HIS50 4.1 28.2 1.0 NE2 D:HIS50 4.2 24.3 1.0 NE2 D:HIS101 4.3 23.1 1.0 CD2 D:HIS50 4.3 24.6 1.0 CD2 D:HIS101 4.3 25.0 1.0 CA D:HIS101 4.5 25.3 1.0 CB D:PHE10 4.6 25.0 1.0 C D:PHE10 4.6 25.1 1.0 CA D:CYS8 4.6 26.4 1.0 CA D:ALA5 4.8 30.1 1.0 O D:HOH157 4.8 30.9 1.0 O D:ALA5 4.9 29.3 1.0 C D:CYS8 4.9 25.4 1.0 O D:CYS8 5.0 24.2 1.0 CA D:PHE10 5.0 24.1 1.0

A.S.Halavaty, Z.Wawrzak, T.Skarina, O.Onopriyenko, E.Gordon, L.Papazisi, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.01 Angstrom Resolution Crystal Structure of A Hit Family Protein From Bacillus Anthracis Str. 'Ames Ancestor' To Be Published.