Copper in PDB 1r1c: Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107)

The structure of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107), PDB code: 1r1c was solved by J.E.Miller, C.Gradinaru, B.R.Crane, A.J.Di Bilio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.947, 56.933, 77.296, 90.00, 98.37, 90.00
R / Rfree (%)	22.4 / 26

The structure of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) also contains other interesting chemical elements:

Rhenium

(Re)

7 atoms

The binding sites of Copper atom in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) (pdb code 1r1c). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107), PDB code: 1r1c:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu901 b:18.1 occ:1.00 ND1 A:HIS46 2.0 20.6 1.0 ND1 A:HIS117 2.1 12.7 1.0 SG A:CYS112 2.2 18.5 1.0 O A:GLY45 2.4 15.0 1.0 CE1 A:HIS46 3.0 20.6 1.0 CE1 A:HIS117 3.0 16.6 1.0 CG A:HIS46 3.1 18.9 1.0 CG A:HIS117 3.1 21.6 1.0 CA A:HIS46 3.2 19.8 1.0 SD A:MET121 3.3 23.1 1.0 CB A:CYS112 3.4 14.6 1.0 C A:GLY45 3.4 23.3 1.0 CB A:HIS46 3.4 15.4 1.0 CB A:HIS117 3.5 17.4 1.0 CB A:PHE114 3.7 21.2 1.0 N A:HIS46 3.8 19.9 1.0 CE A:MET121 4.0 22.8 1.0 NE2 A:HIS46 4.1 21.5 1.0 NE2 A:HIS117 4.1 17.2 1.0 CD2 A:HIS46 4.2 23.8 1.0 CD2 A:HIS117 4.2 17.9 1.0 C A:HIS46 4.5 13.7 1.0 CG A:PHE114 4.6 14.2 1.0 N A:ASN47 4.6 13.8 1.0 CA A:GLY45 4.7 15.4 1.0 CA A:CYS112 4.7 17.3 1.0 N A:PHE114 4.8 11.7 1.0 CA A:PHE114 4.8 20.4 1.0 CG A:MET121 4.8 24.1 1.0 N A:GLY45 4.9 12.4 1.0 O A:MET44 5.0 16.8 1.0

Copper binding site 2 out of 4 in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu902 b:23.7 occ:1.00 ND1 B:HIS46 2.0 21.3 1.0 SG B:CYS112 2.1 19.9 1.0 ND1 B:HIS117 2.1 24.6 1.0 O B:GLY45 2.7 16.1 1.0 CE1 B:HIS117 3.0 22.1 1.0 CE1 B:HIS46 3.0 17.6 1.0 CG B:HIS46 3.1 19.6 1.0 CG B:HIS117 3.1 26.6 1.0 CA B:HIS46 3.3 26.8 1.0 CB B:CYS112 3.3 24.9 1.0 SD B:MET121 3.3 25.2 1.0 CB B:HIS46 3.4 16.2 1.0 CB B:HIS117 3.5 24.0 1.0 C B:GLY45 3.6 23.2 1.0 CE B:MET121 3.8 28.8 1.0 CB B:PHE114 3.8 34.9 1.0 N B:HIS46 3.8 25.8 1.0 NE2 B:HIS46 4.1 20.5 1.0 NE2 B:HIS117 4.2 20.8 1.0 CD2 B:HIS46 4.2 21.5 1.0 CD2 B:HIS117 4.2 20.6 1.0 C B:HIS46 4.5 26.9 1.0 CG B:PHE114 4.6 34.2 1.0 N B:ASN47 4.6 20.1 1.0 CA B:CYS112 4.6 21.4 1.0 N B:PHE114 4.7 18.7 1.0 CA B:PHE114 4.8 19.9 1.0 CG B:MET121 4.9 19.3 1.0 CA B:GLY45 5.0 22.6 1.0 CA B:HIS117 5.0 18.2 1.0

Copper binding site 3 out of 4 in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu903 b:25.6 occ:1.00 ND1 C:HIS117 2.0 24.1 1.0 ND1 C:HIS46 2.0 29.4 1.0 SG C:CYS112 2.1 23.4 1.0 O C:GLY45 2.6 24.9 1.0 CE1 C:HIS117 2.9 18.3 1.0 CE1 C:HIS46 2.9 27.9 1.0 CG C:HIS117 3.0 21.8 1.0 CG C:HIS46 3.0 25.1 1.0 SD C:MET121 3.2 25.7 1.0 CB C:CYS112 3.2 14.3 1.0 CA C:HIS46 3.2 17.1 1.0 CB C:HIS46 3.3 23.8 1.0 CB C:HIS117 3.4 20.0 1.0 C C:GLY45 3.5 22.7 1.0 CE C:MET121 3.5 26.7 1.0 CB C:PHE114 3.8 22.8 1.0 N C:HIS46 3.8 17.0 1.0 NE2 C:HIS117 4.0 20.5 1.0 NE2 C:HIS46 4.0 31.3 1.0 CD2 C:HIS117 4.1 22.5 1.0 CD2 C:HIS46 4.1 24.8 1.0 C C:HIS46 4.5 20.3 1.0 N C:ASN47 4.6 16.6 1.0 CA C:CYS112 4.6 17.6 1.0 CG C:PHE114 4.7 18.1 1.0 N C:PHE114 4.7 24.0 1.0 CG C:MET121 4.8 21.1 1.0 CA C:PHE114 4.8 21.1 1.0 CA C:GLY45 4.9 17.6 1.0 CA C:HIS117 4.9 18.5 1.0 O C:MET44 4.9 27.7 1.0

Copper binding site 4 out of 4 in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu904 b:20.8 occ:1.00 ND1 D:HIS117 1.8 20.4 1.0 ND1 D:HIS46 2.2 32.2 1.0 SG D:CYS112 2.3 18.8 1.0 O D:GLY45 2.4 20.6 1.0 CE1 D:HIS117 2.6 18.4 1.0 CG D:HIS117 3.0 13.9 1.0 CE1 D:HIS46 3.1 27.6 1.0 CG D:HIS46 3.2 23.0 1.0 CA D:HIS46 3.2 25.8 1.0 CB D:CYS112 3.3 9.7 1.0 SD D:MET121 3.3 23.2 1.0 C D:GLY45 3.4 23.3 1.0 CB D:HIS117 3.5 12.6 1.0 CB D:HIS46 3.6 28.4 1.0 N D:HIS46 3.8 19.1 1.0 NE2 D:HIS117 3.8 18.4 1.0 CB D:PHE114 3.9 22.8 1.0 CD2 D:HIS117 4.0 15.8 1.0 CE D:MET121 4.0 9.2 1.0 NE2 D:HIS46 4.2 22.3 1.0 CD2 D:HIS46 4.3 21.2 1.0 C D:HIS46 4.4 28.4 1.0 N D:ASN47 4.5 21.6 1.0 CG D:PHE114 4.6 28.3 1.0 CA D:CYS112 4.7 14.2 1.0 N D:PHE114 4.7 27.9 1.0 CA D:GLY45 4.8 27.5 1.0 O D:MET44 4.8 23.2 1.0 CG D:MET121 4.8 15.1 1.0 CA D:PHE114 4.9 14.5 1.0 N D:GLY45 5.0 42.6 1.0 C D:MET44 5.0 31.8 1.0

J.E.Miller, C.Gradinaru, B.R.Crane, A.J.Di Bilio, W.A.Wehbi, S.Un, J.R.Winkler, H.B.Gray. Spectroscopy and Reactivity of A Photogenerated Tryptophan Radical in A Structurally Defined Protein Environment J.Am.Chem.Soc. V. 125 14220 2003.
ISSN: ISSN 0002-7863
PubMed: 14624538
DOI: 10.1021/JA037203I