Copper in PDB 2tsa: Azurin Mutant M121A

The structure of Azurin Mutant M121A, PDB code: 2tsa was solved by L.-C.Tsai, N.Bonander, K.Harata, B.G.Karlsson, T.Vanngard, V.Langer, L.Sjolin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	109.400, 98.800, 48.000, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / n/a

The binding sites of Copper atom in the Azurin Mutant M121A (pdb code 2tsa). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Azurin Mutant M121A, PDB code: 2tsa:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Azurin Mutant M121A


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Azurin Mutant M121A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu129 b:31.6 occ:1.00 SG A:CYS112 2.0 25.9 1.0 ND1 A:HIS46 2.2 11.0 1.0 ND1 A:HIS117 2.3 23.4 1.0 O A:GLY45 2.8 20.4 1.0 CG A:HIS46 3.2 14.0 1.0 CB A:CYS112 3.2 11.5 1.0 CE1 A:HIS46 3.2 10.2 1.0 CG A:HIS117 3.3 23.3 1.0 CE1 A:HIS117 3.3 22.9 1.0 CA A:HIS46 3.4 11.4 1.0 CB A:HIS46 3.4 9.7 1.0 CB A:HIS117 3.5 20.1 1.0 C A:GLY45 3.8 19.0 1.0 CB A:PHE114 4.0 16.3 1.0 N A:HIS46 4.0 16.3 1.0 CD2 A:HIS46 4.3 15.1 1.0 NE2 A:HIS46 4.3 16.6 1.0 NE2 A:HIS117 4.4 26.0 1.0 CD2 A:HIS117 4.4 23.0 1.0 C A:HIS46 4.6 12.0 1.0 CA A:CYS112 4.6 14.6 1.0 CG A:PHE114 4.6 16.0 1.0 CB A:ALA121 4.7 11.5 1.0 N A:ASN47 4.7 11.7 1.0 CD1 A:PHE114 4.9 19.2 1.0 N A:PHE114 5.0 17.8 1.0 CA A:HIS117 5.0 19.7 1.0

Copper binding site 2 out of 4 in the Azurin Mutant M121A


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Azurin Mutant M121A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu129 b:22.0 occ:1.00 SG B:CYS112 2.2 9.8 1.0 ND1 B:HIS46 2.2 2.8 1.0 ND1 B:HIS117 2.4 13.5 1.0 O B:GLY45 2.7 20.8 1.0 CG B:HIS46 3.1 5.8 1.0 CG B:HIS117 3.2 12.9 1.0 CE1 B:HIS46 3.2 10.3 1.0 CA B:HIS46 3.2 11.1 1.0 CB B:CYS112 3.3 8.0 1.0 CB B:HIS117 3.3 16.6 1.0 CB B:HIS46 3.4 7.0 1.0 CE1 B:HIS117 3.5 12.7 1.0 C B:GLY45 3.6 20.0 1.0 CB B:PHE114 3.8 15.7 1.0 N B:HIS46 3.9 16.3 1.0 CD2 B:HIS46 4.3 10.3 1.0 NE2 B:HIS46 4.3 8.6 1.0 CD2 B:HIS117 4.4 14.9 1.0 C B:HIS46 4.4 11.5 1.0 N B:ASN47 4.5 10.3 1.0 NE2 B:HIS117 4.5 15.1 1.0 CG B:PHE114 4.5 17.9 1.0 CA B:CYS112 4.6 12.8 1.0 N B:PHE114 4.7 15.4 1.0 CA B:HIS117 4.8 20.5 1.0 CB B:ALA121 4.8 16.6 1.0 CA B:PHE114 4.9 16.5 1.0 O B:PHE114 5.0 24.9 1.0

Copper binding site 3 out of 4 in the Azurin Mutant M121A


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Azurin Mutant M121A within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu129 b:18.9 occ:1.00 SG C:CYS112 2.1 8.7 1.0 ND1 C:HIS46 2.2 4.8 1.0 ND1 C:HIS117 2.4 9.4 1.0 O C:GLY45 2.7 15.1 1.0 CG C:HIS46 3.1 9.0 1.0 CG C:HIS117 3.2 10.8 1.0 CB C:CYS112 3.2 6.2 1.0 CE1 C:HIS46 3.2 10.7 1.0 CB C:HIS117 3.3 16.0 1.0 CA C:HIS46 3.3 11.8 1.0 CB C:HIS46 3.4 8.3 1.0 CE1 C:HIS117 3.5 12.8 1.0 C C:GLY45 3.6 15.9 1.0 N C:HIS46 3.9 12.5 1.0 CB C:PHE114 4.0 18.2 1.0 CD2 C:HIS46 4.3 9.0 1.0 NE2 C:HIS46 4.3 7.1 1.0 CD2 C:HIS117 4.3 12.3 1.0 NE2 C:HIS117 4.5 17.1 1.0 C C:HIS46 4.6 13.4 1.0 CA C:CYS112 4.6 10.7 1.0 N C:ASN47 4.6 12.1 1.0 CG C:PHE114 4.7 20.4 1.0 CB C:ALA121 4.8 11.4 1.0 CA C:HIS117 4.8 18.8 1.0 CA C:GLY45 4.9 14.1 1.0

Copper binding site 4 out of 4 in the Azurin Mutant M121A


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Azurin Mutant M121A within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu129 b:30.1 occ:1.00 SG D:CYS112 2.2 18.3 1.0 ND1 D:HIS46 2.2 21.5 1.0 ND1 D:HIS117 2.4 21.5 1.0 O D:GLY45 2.8 19.3 1.0 CE1 D:HIS46 3.1 21.2 1.0 CG D:HIS46 3.3 17.8 1.0 CE1 D:HIS117 3.3 23.5 1.0 CG D:HIS117 3.3 21.2 1.0 CB D:CYS112 3.3 17.8 1.0 CA D:HIS46 3.4 12.5 1.0 CB D:HIS117 3.6 18.6 1.0 CB D:HIS46 3.6 14.3 1.0 C D:GLY45 3.8 17.7 1.0 CB D:PHE114 4.1 16.4 1.0 N D:HIS46 4.1 15.2 1.0 NE2 D:HIS46 4.3 20.9 1.0 CD2 D:HIS46 4.4 18.6 1.0 NE2 D:HIS117 4.4 23.4 1.0 CD2 D:HIS117 4.4 23.6 1.0 C D:HIS46 4.6 13.1 1.0 N D:ASN47 4.7 12.4 1.0 CB D:ALA121 4.7 11.0 1.0 CG D:PHE114 4.7 17.4 1.0 CA D:CYS112 4.8 18.2 1.0

L.C.Tsai, N.Bonander, K.Harata, G.Karlsson, T.Vanngard, V.Langer, L.Sjolin. Mutant MET121ALA of Pseudomonas Aeruginosa Azurin and Its Azide Derivative: Crystal Structures and Spectral Properties. Acta Crystallogr.,Sect.D V. 52 950 1996.
ISSN: ISSN 0907-4449
PubMed: 15299604
DOI: 10.1107/S0907444996004982