Zinc in PDB 1r22: Crystal Structure of the Cyanobacterial Metallothionein Repressor Smtb (C14S/C61S/C121S Mutant) in the ZN2ALPHA5- Form

The structure of Crystal Structure of the Cyanobacterial Metallothionein Repressor Smtb (C14S/C61S/C121S Mutant) in the ZN2ALPHA5- Form, PDB code: 1r22 was solved by C.Eicken, M.A.Pennella, X.Chen, K.M.Koshlap, M.L.Vanzile, J.C.Sacchettini, D.P.Giedroc, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.30
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	64.448, 124.678, 25.909, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 29

The binding sites of Zinc atom in the Crystal Structure of the Cyanobacterial Metallothionein Repressor Smtb (C14S/C61S/C121S Mutant) in the ZN2ALPHA5- Form (pdb code 1r22). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Cyanobacterial Metallothionein Repressor Smtb (C14S/C61S/C121S Mutant) in the ZN2ALPHA5- Form, PDB code: 1r22:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Cyanobacterial Metallothionein Repressor Smtb (C14S/C61S/C121S Mutant) in the ZN2ALPHA5- 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 the Cyanobacterial Metallothionein Repressor Smtb (C14S/C61S/C121S Mutant) in the ZN2ALPHA5- Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn502 b:35.5 occ:1.00 OD2 B:ASP104 1.9 25.7 1.0 OE2 A:GLU120 2.0 24.7 1.0 ND1 B:HIS106 2.0 26.0 1.0 ND1 A:HIS117 2.0 28.7 1.0 CD A:GLU120 2.7 31.9 1.0 CG B:ASP104 2.8 22.5 1.0 CE1 B:HIS106 2.9 27.5 1.0 OD1 B:ASP104 2.9 20.2 1.0 OE1 A:GLU120 2.9 31.1 1.0 CE1 A:HIS117 2.9 29.9 1.0 CG A:HIS117 2.9 24.2 1.0 CG B:HIS106 3.1 25.9 1.0 CB A:HIS117 3.3 25.5 1.0 CB B:HIS106 3.5 21.7 1.0 CA A:HIS117 3.6 25.4 1.0 CD2 A:HIS117 4.0 27.6 1.0 NE2 A:HIS117 4.0 26.2 1.0 NE2 B:HIS106 4.0 24.3 1.0 CD2 B:HIS106 4.1 26.3 1.0 CG A:GLU120 4.2 35.4 1.0 CB B:ASP104 4.2 23.2 1.0 N A:HIS117 4.5 24.7 1.0 N B:HIS106 4.6 20.6 1.0 CA B:HIS106 4.6 22.3 1.0 C A:HIS117 4.6 24.3 1.0 O A:HIS117 4.6 23.2 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Cyanobacterial Metallothionein Repressor Smtb (C14S/C61S/C121S Mutant) in the ZN2ALPHA5- 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 the Cyanobacterial Metallothionein Repressor Smtb (C14S/C61S/C121S Mutant) in the ZN2ALPHA5- Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:45.6 occ:1.00 ND1 B:HIS117 2.1 27.6 1.0 ND1 A:HIS106 2.2 28.3 1.0 OE1 B:GLU120 2.3 45.6 1.0 OD2 A:ASP104 2.3 41.1 1.0 OE2 B:GLU120 2.7 43.0 1.0 CD B:GLU120 2.8 43.4 1.0 OD1 A:ASP104 2.8 40.8 1.0 CG A:ASP104 2.9 40.2 1.0 CE1 A:HIS106 3.1 32.3 1.0 CE1 B:HIS117 3.1 32.7 1.0 CG B:HIS117 3.1 33.0 1.0 CG A:HIS106 3.2 30.1 1.0 CB B:HIS117 3.4 34.6 1.0 CA B:HIS117 3.5 34.3 1.0 CB A:HIS106 3.6 31.1 1.0 O A:HOH1020 3.9 53.8 1.0 NE2 B:HIS117 4.2 35.9 1.0 NE2 A:HIS106 4.2 27.9 1.0 CD2 B:HIS117 4.2 34.4 1.0 CG B:GLU120 4.3 43.0 1.0 CD2 A:HIS106 4.3 32.1 1.0 OE1 A:GLN103 4.4 53.4 1.0 CB A:ASP104 4.4 38.1 1.0 N B:HIS117 4.4 34.0 1.0 NH2 A:ARG87 4.4 48.4 1.0 C B:HIS117 4.6 36.4 1.0 N A:HIS106 4.7 33.6 1.0 O B:HIS117 4.7 37.5 1.0 CA A:HIS106 4.7 31.8 1.0 CE1 A:HIS105 5.0 46.3 1.0

C.Eicken, M.A.Pennella, X.Chen, K.M.Koshlap, M.L.Vanzile, J.C.Sacchettini, D.P.Giedroc. A Metal-Ligand-Mediated Intersubunit Allosteric Switch in Related Smtb/Arsr Zinc Sensor Proteins. J.Mol.Biol. V. 333 683 2003.
ISSN: ISSN 0022-2836
PubMed: 14568530
DOI: 10.1016/J.JMB.2003.09.007