Copper in PDB 4azu: Crystal Structure Analysis of Oxidized Pseudomonas Aeruginosa Azurin at pH 5.5 and pH 9.0. A pH-Induced Conformational Transition Involves A Peptide Bond Flip

The structure of Crystal Structure Analysis of Oxidized Pseudomonas Aeruginosa Azurin at pH 5.5 and pH 9.0. A pH-Induced Conformational Transition Involves A Peptide Bond Flip, PDB code: 4azu was solved by H.Nar, A.Messerschmidt, R.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.650, 80.930, 110.170, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Copper atom in the Crystal Structure Analysis of Oxidized Pseudomonas Aeruginosa Azurin at pH 5.5 and pH 9.0. A pH-Induced Conformational Transition Involves A Peptide Bond Flip (pdb code 4azu). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Crystal Structure Analysis of Oxidized Pseudomonas Aeruginosa Azurin at pH 5.5 and pH 9.0. A pH-Induced Conformational Transition Involves A Peptide Bond Flip, PDB code: 4azu:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Crystal Structure Analysis of Oxidized Pseudomonas Aeruginosa Azurin at pH 5.5 and pH 9.0. A pH-Induced Conformational Transition Involves A Peptide Bond Flip


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure Analysis of Oxidized Pseudomonas Aeruginosa Azurin at pH 5.5 and pH 9.0. A pH-Induced Conformational Transition Involves A Peptide Bond Flip within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu400 b:10.7 occ:1.00 ND1 A:HIS46 2.0 11.2 1.0 ND1 A:HIS117 2.1 8.0 1.0 SG A:CYS112 2.3 11.3 1.0 O A:GLY45 2.8 11.6 1.0 CE1 A:HIS46 2.9 3.1 1.0 CG A:HIS46 3.0 20.6 1.0 CE1 A:HIS117 3.1 2.0 1.0 CG A:HIS117 3.1 11.5 1.0 SD A:MET121 3.2 9.5 1.0 CB A:CYS112 3.3 5.2 1.0 CA A:HIS46 3.4 4.5 1.0 CB A:HIS117 3.4 2.3 1.0 CB A:HIS46 3.5 4.2 1.0 C A:GLY45 3.8 3.4 1.0 CE A:MET121 3.9 2.0 1.0 CB A:PHE114 3.9 2.0 1.0 N A:HIS46 4.0 6.8 1.0 NE2 A:HIS46 4.1 9.3 1.0 NE2 A:HIS117 4.2 6.1 1.0 CD2 A:HIS46 4.2 12.3 1.0 CD2 A:HIS117 4.3 4.4 1.0 C A:HIS46 4.6 4.9 1.0 CG A:MET121 4.7 10.5 1.0 N A:ASN47 4.7 10.7 1.0 CA A:CYS112 4.7 5.1 1.0 N A:PHE114 4.8 3.6 1.0 CG A:PHE114 4.8 2.0 1.0 CA A:HIS117 4.9 7.0 1.0 CA A:PHE114 5.0 3.5 1.0

Copper binding site 2 out of 4 in the Crystal Structure Analysis of Oxidized Pseudomonas Aeruginosa Azurin at pH 5.5 and pH 9.0. A pH-Induced Conformational Transition Involves A Peptide Bond Flip


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure Analysis of Oxidized Pseudomonas Aeruginosa Azurin at pH 5.5 and pH 9.0. A pH-Induced Conformational Transition Involves A Peptide Bond Flip within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu401 b:12.3 occ:1.00 ND1 B:HIS117 2.0 4.5 1.0 ND1 B:HIS46 2.1 10.8 1.0 SG B:CYS112 2.3 8.4 1.0 CE1 B:HIS117 2.9 5.8 1.0 O B:GLY45 3.0 8.0 1.0 CE1 B:HIS46 3.0 11.1 1.0 CG B:HIS117 3.0 8.7 1.0 CG B:HIS46 3.1 18.9 1.0 SD B:MET121 3.2 8.9 1.0 CB B:CYS112 3.3 2.4 1.0 CA B:HIS46 3.4 2.9 1.0 CB B:HIS117 3.5 2.1 1.0 CB B:HIS46 3.6 8.8 1.0 CB B:PHE114 3.8 7.5 1.0 C B:GLY45 3.9 10.5 1.0 CE B:MET121 4.0 2.2 1.0 NE2 B:HIS117 4.0 5.6 1.0 N B:HIS46 4.1 3.3 1.0 NE2 B:HIS46 4.1 6.9 1.0 CD2 B:HIS117 4.2 3.5 1.0 CD2 B:HIS46 4.3 8.4 1.0 C B:HIS46 4.6 5.3 1.0 CG B:MET121 4.6 9.6 1.0 CG B:PHE114 4.6 5.7 1.0 CA B:CYS112 4.7 2.0 1.0 N B:ASN47 4.7 8.6 1.0 N B:PHE114 4.8 10.6 1.0 CA B:PHE114 4.9 5.0 1.0 CA B:HIS117 5.0 4.6 1.0 CB B:MET121 5.0 9.0 1.0

Copper binding site 3 out of 4 in the Crystal Structure Analysis of Oxidized Pseudomonas Aeruginosa Azurin at pH 5.5 and pH 9.0. A pH-Induced Conformational Transition Involves A Peptide Bond Flip


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Crystal Structure Analysis of Oxidized Pseudomonas Aeruginosa Azurin at pH 5.5 and pH 9.0. A pH-Induced Conformational Transition Involves A Peptide Bond Flip within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu402 b:10.9 occ:1.00 ND1 C:HIS117 2.0 8.9 1.0 ND1 C:HIS46 2.1 6.9 1.0 SG C:CYS112 2.2 9.4 1.0 CE1 C:HIS117 2.9 2.0 1.0 CG C:HIS117 3.0 9.9 1.0 O C:GLY45 3.0 13.1 1.0 CG C:HIS46 3.1 14.8 1.0 CE1 C:HIS46 3.1 8.9 1.0 SD C:MET121 3.2 7.4 1.0 CB C:CYS112 3.3 11.3 1.0 CA C:HIS46 3.4 4.6 1.0 CB C:HIS117 3.4 8.8 1.0 CB C:HIS46 3.5 10.4 1.0 C C:GLY45 3.9 10.5 1.0 CE C:MET121 3.9 6.3 1.0 CB C:PHE114 4.0 9.1 1.0 NE2 C:HIS117 4.0 5.5 1.0 N C:HIS46 4.1 6.6 1.0 CD2 C:HIS117 4.1 7.3 1.0 NE2 C:HIS46 4.2 9.6 1.0 CD2 C:HIS46 4.3 2.1 1.0 C C:HIS46 4.5 8.1 1.0 N C:ASN47 4.6 8.4 1.0 CA C:CYS112 4.7 2.0 1.0 CG C:MET121 4.7 8.9 1.0 CG C:PHE114 4.8 5.7 1.0 N C:PHE114 4.8 12.2 1.0 CA C:HIS117 4.9 2.0 1.0

Copper binding site 4 out of 4 in the Crystal Structure Analysis of Oxidized Pseudomonas Aeruginosa Azurin at pH 5.5 and pH 9.0. A pH-Induced Conformational Transition Involves A Peptide Bond Flip


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Crystal Structure Analysis of Oxidized Pseudomonas Aeruginosa Azurin at pH 5.5 and pH 9.0. A pH-Induced Conformational Transition Involves A Peptide Bond Flip within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu403 b:12.5 occ:1.00 ND1 D:HIS117 2.0 6.4 1.0 ND1 D:HIS46 2.1 12.7 1.0 SG D:CYS112 2.2 11.4 1.0 CE1 D:HIS117 3.0 2.0 1.0 CG D:HIS117 3.0 6.0 1.0 O D:GLY45 3.0 5.5 1.0 SD D:MET121 3.0 8.2 1.0 CE1 D:HIS46 3.1 18.2 1.0 CG D:HIS46 3.1 14.7 1.0 CB D:CYS112 3.3 7.7 1.0 CB D:HIS117 3.4 2.0 1.0 CA D:HIS46 3.5 3.0 1.0 CB D:HIS46 3.5 8.9 1.0 CE D:MET121 3.8 3.5 1.0 CB D:PHE114 3.9 2.0 1.0 C D:GLY45 4.0 4.9 1.0 NE2 D:HIS117 4.1 3.8 1.0 N D:HIS46 4.1 5.5 1.0 CD2 D:HIS117 4.2 2.0 1.0 NE2 D:HIS46 4.2 13.1 1.0 CD2 D:HIS46 4.3 11.7 1.0 CG D:MET121 4.6 12.2 1.0 C D:HIS46 4.6 8.0 1.0 CA D:CYS112 4.7 3.6 1.0 N D:ASN47 4.7 9.1 1.0 CG D:PHE114 4.8 5.9 1.0 N D:PHE114 4.8 5.4 1.0 CA D:HIS117 4.9 5.5 1.0 CA D:PHE114 5.0 12.7 1.0 CB D:MET121 5.0 2.0 1.0

H.Nar, A.Messerschmidt, R.Huber, M.Van De Kamp, G.W.Canters. Crystal Structure Analysis of Oxidized Pseudomonas Aeruginosa Azurin at pH 5.5 and pH 9.0. A pH-Induced Conformational Transition Involves A Peptide Bond Flip. J.Mol.Biol. V. 221 765 1991.
ISSN: ISSN 0022-2836
PubMed: 1942029
DOI: 10.1016/0022-2836(91)80173-R