Copper in PDB 2tsb: Azurin Mutant M121A-Azide

The structure of Azurin Mutant M121A-Azide, PDB code: 2tsb 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 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	109.700, 98.700, 48.100, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / n/a

The binding sites of Copper atom in the Azurin Mutant M121A-Azide (pdb code 2tsb). 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-Azide, PDB code: 2tsb:
Jump to Copper binding site number: 1; 2; 3; 4;

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


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-Azide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu130 b:37.5 occ:1.00 N1 A:AZI129 2.0 52.0 1.0 ND1 A:HIS46 2.2 25.6 1.0 SG A:CYS112 2.4 21.8 1.0 ND1 A:HIS117 2.4 28.4 1.0 N2 A:AZI129 2.9 49.9 1.0 O A:GLY45 3.1 19.0 1.0 CE1 A:HIS46 3.2 23.3 1.0 CG A:HIS46 3.2 26.2 1.0 CE1 A:HIS117 3.4 25.6 1.0 CG A:HIS117 3.5 26.9 1.0 CA A:HIS46 3.5 18.0 1.0 CB A:HIS46 3.5 20.7 1.0 CB A:CYS112 3.5 18.3 1.0 CB A:HIS117 3.7 25.3 1.0 N3 A:AZI129 3.9 52.3 1.0 C A:GLY45 4.0 18.6 1.0 N A:HIS46 4.1 19.0 1.0 NE2 A:HIS46 4.3 32.7 1.0 CB A:PHE114 4.3 21.1 1.0 CD2 A:HIS46 4.3 30.9 1.0 NE2 A:HIS117 4.5 24.2 1.0 CB A:ALA121 4.5 17.0 1.0 CD2 A:HIS117 4.6 19.9 1.0 C A:HIS46 4.8 18.4 1.0 N A:ASN47 4.9 16.4 1.0 CA A:CYS112 5.0 14.1 1.0

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


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-Azide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu130 b:28.6 occ:1.00 N1 B:AZI129 2.1 41.4 1.0 ND1 B:HIS46 2.3 14.5 1.0 ND1 B:HIS117 2.3 15.7 1.0 SG B:CYS112 2.3 17.2 1.0 CB B:HIS46 3.0 19.8 1.0 CG B:HIS46 3.0 21.4 1.0 N2 B:AZI129 3.1 39.5 1.0 O B:GLY45 3.2 23.3 1.0 CA B:HIS46 3.2 22.1 1.0 CG B:HIS117 3.2 19.6 1.0 CE1 B:HIS117 3.3 10.8 1.0 CB B:HIS117 3.4 22.1 1.0 CE1 B:HIS46 3.5 17.7 1.0 CB B:CYS112 3.5 19.4 1.0 C B:GLY45 3.9 23.4 1.0 N B:HIS46 4.0 21.1 1.0 N3 B:AZI129 4.1 40.2 1.0 CB B:PHE114 4.2 17.7 1.0 CD2 B:HIS46 4.3 23.1 1.0 C B:HIS46 4.4 22.0 1.0 CD2 B:HIS117 4.4 15.2 1.0 NE2 B:HIS117 4.4 17.4 1.0 NE2 B:HIS46 4.5 23.4 1.0 N B:ASN47 4.5 20.5 1.0 CB B:ALA121 4.7 20.5 1.0 CG B:PHE114 4.8 16.1 1.0 CA B:HIS117 4.9 23.4 1.0 CA B:CYS112 4.9 17.6 1.0

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


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-Azide within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu130 b:31.5 occ:1.00 N1 C:AZI129 2.0 39.8 1.0 SG C:CYS112 2.2 23.1 1.0 ND1 C:HIS46 2.3 17.0 1.0 ND1 C:HIS117 2.3 21.1 1.0 N2 C:AZI129 3.0 36.7 1.0 CG C:HIS117 3.1 19.9 1.0 O C:GLY45 3.1 14.9 1.0 CB C:CYS112 3.2 19.4 1.0 CE1 C:HIS46 3.3 15.3 1.0 CB C:HIS117 3.3 23.6 1.0 CG C:HIS46 3.3 16.1 1.0 CE1 C:HIS117 3.4 17.9 1.0 CA C:HIS46 3.4 17.9 1.0 CB C:HIS46 3.6 15.4 1.0 C C:GLY45 3.9 16.8 1.0 CB C:PHE114 4.1 22.2 1.0 N3 C:AZI129 4.1 41.4 1.0 N C:HIS46 4.1 16.8 1.0 CD2 C:HIS117 4.3 17.4 1.0 NE2 C:HIS46 4.4 12.6 1.0 NE2 C:HIS117 4.4 21.2 1.0 CD2 C:HIS46 4.4 17.3 1.0 CA C:CYS112 4.5 16.1 1.0 C C:HIS46 4.6 18.0 1.0 CB C:ALA121 4.6 14.9 1.0 N C:ASN47 4.6 18.3 1.0 CA C:HIS117 4.7 23.6 1.0 C C:CYS112 4.9 17.4 1.0 CG C:PHE114 4.9 20.6 1.0

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


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-Azide within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu130 b:43.3 occ:1.00 N1 D:AZI129 2.1 35.9 1.0 ND1 D:HIS46 2.2 25.1 1.0 SG D:CYS112 2.4 22.8 1.0 ND1 D:HIS117 2.4 19.1 1.0 CG D:HIS46 3.1 20.3 1.0 N2 D:AZI129 3.1 34.8 1.0 CE1 D:HIS117 3.1 20.0 1.0 CE1 D:HIS46 3.2 19.3 1.0 O D:GLY45 3.3 14.6 1.0 CB D:HIS46 3.3 16.7 1.0 CA D:HIS46 3.4 16.3 1.0 CB D:CYS112 3.5 24.0 1.0 CG D:HIS117 3.5 19.5 1.0 CB D:HIS117 4.0 18.6 1.0 C D:GLY45 4.1 14.4 1.0 N D:HIS46 4.1 15.4 1.0 CD2 D:HIS46 4.2 23.0 1.0 N3 D:AZI129 4.2 34.5 1.0 NE2 D:HIS46 4.3 20.6 1.0 CB D:PHE114 4.3 24.5 1.0 NE2 D:HIS117 4.3 14.1 1.0 CD2 D:HIS117 4.5 15.7 1.0 C D:HIS46 4.5 17.5 1.0 CB D:ALA121 4.6 15.6 1.0 N D:ASN47 4.6 17.9 1.0 CA D:CYS112 4.9 22.9 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