Copper in PDB 8f5k: Azurin From Pseudomonas Aeruginosa, Y72F/Y108F/F110A Mutant

The structure of Azurin From Pseudomonas Aeruginosa, Y72F/Y108F/F110A Mutant, PDB code: 8f5k was solved by M.Zeug, A.R.Offenbacher, J.Choe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.28 / 1.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.425, 64.818, 71.149, 90, 90.92, 90
R / Rfree (%)	15.8 / 17.9

The binding sites of Copper atom in the Azurin From Pseudomonas Aeruginosa, Y72F/Y108F/F110A Mutant (pdb code 8f5k). 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 From Pseudomonas Aeruginosa, Y72F/Y108F/F110A Mutant, PDB code: 8f5k:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Azurin From Pseudomonas Aeruginosa, Y72F/Y108F/F110A Mutant


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Azurin From Pseudomonas Aeruginosa, Y72F/Y108F/F110A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:10.8 occ:1.00 ND1 A:HIS117 2.0 8.9 1.0 ND1 A:HIS46 2.0 8.2 1.0 SG A:CYS112 2.2 9.7 1.0 O A:GLY45 2.7 10.0 1.0 CE1 A:HIS117 2.9 9.7 1.0 CE1 A:HIS46 2.9 8.3 1.0 CG A:HIS117 3.1 8.2 1.0 CG A:HIS46 3.1 8.9 1.0 SD A:MET121 3.2 68.2 1.0 CB A:CYS112 3.3 9.3 1.0 CA A:HIS46 3.3 7.2 1.0 CB A:HIS117 3.5 9.0 1.0 CB A:HIS46 3.5 10.9 1.0 C A:GLY45 3.7 10.5 1.0 CE A:MET121 3.7 34.1 1.0 CB A:PHE114 3.8 9.9 1.0 N A:HIS46 4.0 10.0 1.0 NE2 A:HIS117 4.1 10.0 1.0 NE2 A:HIS46 4.1 10.3 1.0 CD2 A:HIS117 4.2 9.9 1.0 CD2 A:HIS46 4.2 10.1 1.0 C A:HIS46 4.5 10.0 1.0 N A:ASN47 4.5 10.4 1.0 CA A:CYS112 4.7 8.0 1.0 N A:PHE114 4.7 9.0 1.0 CG A:PHE114 4.7 9.7 1.0 CG A:MET121 4.7 6.2 1.0 CA A:PHE114 4.9 9.2 1.0 CA A:HIS117 5.0 7.9 1.0

Copper binding site 2 out of 4 in the Azurin From Pseudomonas Aeruginosa, Y72F/Y108F/F110A Mutant


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Azurin From Pseudomonas Aeruginosa, Y72F/Y108F/F110A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:10.3 occ:1.00 ND1 B:HIS46 2.0 6.6 1.0 ND1 B:HIS117 2.0 8.6 1.0 SG B:CYS112 2.2 8.7 1.0 O B:GLY45 2.5 9.4 1.0 CE1 B:HIS46 2.9 7.4 1.0 CE1 B:HIS117 3.0 9.3 1.0 CG B:HIS117 3.1 7.5 1.0 CG B:HIS46 3.1 8.9 1.0 SD B:MET121 3.1 129.8 1.0 CA B:HIS46 3.3 8.5 1.0 CB B:CYS112 3.3 9.3 1.0 CB B:HIS117 3.4 8.2 1.0 CB B:HIS46 3.5 10.0 1.0 C B:GLY45 3.5 9.7 1.0 CB B:PHE114 3.7 8.6 1.0 CE B:MET121 3.7 74.1 1.0 N B:HIS46 3.8 9.2 1.0 NE2 B:HIS46 4.1 8.7 1.0 NE2 B:HIS117 4.1 8.8 1.0 CD2 B:HIS117 4.2 8.4 1.0 CD2 B:HIS46 4.2 9.4 1.0 CG B:PHE114 4.5 8.8 1.0 C B:HIS46 4.5 8.8 1.0 N B:ASN47 4.6 8.6 1.0 CA B:CYS112 4.7 8.6 1.0 N B:PHE114 4.7 9.5 1.0 CG B:MET121 4.8 7.3 1.0 CA B:PHE114 4.8 9.1 1.0 CA B:GLY45 4.9 9.3 1.0 CA B:HIS117 4.9 8.7 1.0 CD1 B:PHE114 5.0 10.5 1.0

Copper binding site 3 out of 4 in the Azurin From Pseudomonas Aeruginosa, Y72F/Y108F/F110A Mutant


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Azurin From Pseudomonas Aeruginosa, Y72F/Y108F/F110A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu201 b:11.2 occ:1.00 ND1 C:HIS46 2.0 9.3 1.0 ND1 C:HIS117 2.0 9.5 1.0 SG C:CYS112 2.2 9.9 1.0 O C:GLY45 2.7 10.8 1.0 CE1 C:HIS46 2.9 9.6 1.0 CE1 C:HIS117 2.9 11.1 1.0 CG C:HIS117 3.1 8.4 1.0 CG C:HIS46 3.1 10.0 1.0 SD C:MET121 3.2 9.7 1.0 CB C:CYS112 3.2 9.1 1.0 CA C:HIS46 3.3 9.6 1.0 CB C:HIS117 3.5 8.8 1.0 CB C:HIS46 3.5 10.6 1.0 C C:GLY45 3.7 9.9 1.0 CB C:PHE114 3.8 11.3 1.0 CE C:MET121 3.8 11.1 1.0 N C:HIS46 3.9 10.0 1.0 NE2 C:HIS46 4.1 10.5 1.0 NE2 C:HIS117 4.1 11.0 1.0 CD2 C:HIS46 4.2 10.6 1.0 CD2 C:HIS117 4.2 8.8 1.0 C C:HIS46 4.5 10.8 1.0 N C:ASN47 4.5 9.4 1.0 CA C:CYS112 4.6 9.5 1.0 N C:PHE114 4.7 9.7 1.0 CG C:MET121 4.7 10.7 1.0 CG C:PHE114 4.7 11.2 1.0 CA C:PHE114 4.9 10.8 1.0 CA C:HIS117 5.0 9.9 1.0

Copper binding site 4 out of 4 in the Azurin From Pseudomonas Aeruginosa, Y72F/Y108F/F110A Mutant


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Azurin From Pseudomonas Aeruginosa, Y72F/Y108F/F110A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu201 b:11.3 occ:1.00 ND1 D:HIS117 2.0 9.4 1.0 ND1 D:HIS46 2.0 9.4 1.0 SG D:CYS112 2.2 9.7 1.0 O D:GLY45 2.6 11.2 1.0 CE1 D:HIS46 2.9 9.8 1.0 CE1 D:HIS117 2.9 9.4 1.0 CG D:HIS117 3.1 8.6 1.0 CG D:HIS46 3.1 10.2 1.0 SD D:MET121 3.2 10.5 1.0 CA D:HIS46 3.3 9.9 1.0 CB D:CYS112 3.3 8.8 1.0 CB D:HIS117 3.4 9.1 1.0 C D:GLY45 3.5 11.4 1.0 CB D:HIS46 3.5 10.2 1.0 CB D:PHE114 3.7 9.9 1.0 CE D:MET121 3.8 9.8 1.0 N D:HIS46 3.9 11.0 1.0 NE2 D:HIS117 4.1 10.1 1.0 NE2 D:HIS46 4.1 9.9 1.0 CD2 D:HIS117 4.2 9.4 1.0 CD2 D:HIS46 4.2 10.5 1.0 CG D:PHE114 4.5 9.9 1.0 C D:HIS46 4.5 9.1 1.0 N D:ASN47 4.6 9.8 1.0 N D:PHE114 4.7 9.8 1.0 CA D:CYS112 4.7 9.0 1.0 CG D:MET121 4.7 8.8 1.0 CA D:PHE114 4.8 9.7 1.0 CA D:GLY45 4.9 11.4 1.0 CA D:HIS117 4.9 9.8 1.0 CD1 D:PHE114 5.0 12.2 1.0

K.Tyson, C.B.Tangtartharakul, M.Zeug, N.Findling, A.Haddy, E.Hvastkovs, J.Y.Choe, J.E.Kim, A.R.Offenbacher. Electrochemical and Structural Study of the Buried Tryptophan in Azurin: Effects of Hydration and Polarity on the Redox Potential of W48. J.Phys.Chem.B 2022.
ISSN: ISSN 1089-5647
PubMed: 36542812
DOI: 10.1021/ACS.JPCB.2C06677