Copper in PDB 8f5l: Azurin From Pseudomonas Aeruginosa, Y72F/Y108F/F110L Mutant

The structure of Azurin From Pseudomonas Aeruginosa, Y72F/Y108F/F110L Mutant, PDB code: 8f5l 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)	34.09 / 1.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.171, 66.73, 69.806, 90, 90, 90
R / Rfree (%)	15.9 / 17.4

The binding sites of Copper atom in the Azurin From Pseudomonas Aeruginosa, Y72F/Y108F/F110L Mutant (pdb code 8f5l). 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/F110L Mutant, PDB code: 8f5l:
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/F110L 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/F110L Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu202 b:11.3 occ:0.61 CU A:CU202 0.0 11.3 0.6 N A:TRS201 1.7 12.7 1.0 CU A:CU202 1.9 9.3 0.4 O A:HOH394 2.4 16.8 1.0 O A:HOH313 2.5 12.7 1.0 C A:TRS201 2.6 11.5 1.0 C2 A:TRS201 3.0 10.8 1.0 O2 A:TRS201 3.3 11.8 1.0 C3 A:TRS201 3.3 9.6 1.0 N A:ALA1 3.7 14.1 1.0 O A:ALA1 3.8 12.6 1.0 C1 A:TRS201 4.0 10.7 1.0 O A:SER25 4.3 10.8 1.0 OG A:SER25 4.3 10.5 1.0 SG A:CYS3 4.3 9.5 1.0 O1 A:TRS201 4.5 11.4 1.0 O3 A:TRS201 4.6 11.3 1.0 C A:ALA1 4.7 11.1 1.0 CA A:ALA1 4.7 11.4 1.0 C A:SER25 4.8 9.2 1.0

Copper binding site 2 out of 4 in the Azurin From Pseudomonas Aeruginosa, Y72F/Y108F/F110L 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/F110L Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu202 b:9.3 occ:0.39 CU A:CU202 0.0 9.3 0.4 N A:TRS201 1.9 12.7 1.0 CU A:CU202 1.9 11.3 0.6 N A:ALA1 2.0 14.1 1.0 O A:ALA1 2.2 12.6 1.0 O A:HOH313 2.3 12.7 1.0 O2 A:TRS201 2.4 11.8 1.0 CA A:ALA1 2.9 11.4 1.0 C A:ALA1 2.9 11.1 1.0 C A:TRS201 2.9 11.5 1.0 C2 A:TRS201 3.0 10.8 1.0 CB A:ALA1 3.6 14.4 1.0 C1 A:TRS201 3.8 10.7 1.0 O A:HOH394 4.2 16.8 1.0 N A:GLU2 4.2 12.2 1.0 C3 A:TRS201 4.2 9.6 1.0 SG A:CYS3 4.2 9.5 1.0 O A:HOH382 4.3 10.2 1.0 OG A:SER25 4.4 10.5 1.0 O1 A:TRS201 4.5 11.4 1.0 CA A:GLU2 4.9 11.5 1.0 O A:HOH378 4.9 15.8 1.0

Copper binding site 3 out of 4 in the Azurin From Pseudomonas Aeruginosa, Y72F/Y108F/F110L 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/F110L Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu203 b:6.5 occ:1.00 ND1 A:HIS46 2.0 5.7 1.0 ND1 A:HIS117 2.1 6.2 1.0 SG A:CYS112 2.2 5.5 1.0 CE1 A:HIS46 3.0 5.5 1.0 O A:GLY45 3.0 6.5 1.0 CE1 A:HIS117 3.0 7.2 1.0 CG A:HIS117 3.1 5.8 1.0 CG A:HIS46 3.1 5.7 1.0 SD A:MET121 3.2 7.2 1.0 CB A:CYS112 3.3 5.5 1.0 CA A:HIS46 3.4 5.5 1.0 CB A:HIS117 3.4 6.0 1.0 CB A:HIS46 3.5 5.4 1.0 CE A:MET121 3.7 7.9 1.0 CB A:PHE114 3.8 5.8 1.0 C A:GLY45 3.9 6.5 1.0 N A:HIS46 4.1 5.2 1.0 NE2 A:HIS46 4.1 5.9 1.0 NE2 A:HIS117 4.1 7.2 1.0 CD2 A:HIS117 4.2 7.9 1.0 CD2 A:HIS46 4.2 5.7 1.0 C A:HIS46 4.6 4.6 1.0 N A:ASN47 4.6 4.7 1.0 CG A:MET121 4.7 7.3 1.0 CA A:CYS112 4.7 5.2 1.0 CG A:PHE114 4.7 5.7 1.0 N A:PHE114 4.8 5.3 1.0 CA A:HIS117 4.9 6.9 1.0 CA A:PHE114 4.9 5.7 1.0 CB A:MET121 5.0 6.9 1.0

Copper binding site 4 out of 4 in the Azurin From Pseudomonas Aeruginosa, Y72F/Y108F/F110L 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/F110L Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:6.2 occ:1.00 ND1 B:HIS117 2.0 6.1 1.0 ND1 B:HIS46 2.0 5.3 1.0 SG B:CYS112 2.2 5.6 1.0 CE1 B:HIS117 2.9 7.0 1.0 CE1 B:HIS46 3.0 5.2 1.0 CG B:HIS117 3.1 5.7 1.0 SD B:MET121 3.1 6.9 1.0 O B:GLY45 3.1 6.2 1.0 CG B:HIS46 3.1 5.9 1.0 CB B:CYS112 3.2 6.7 1.0 CA B:HIS46 3.4 5.6 1.0 CB B:HIS117 3.4 6.3 1.0 CB B:HIS46 3.5 6.4 1.0 CE B:MET121 3.7 7.1 1.0 C B:GLY45 4.0 5.6 1.0 CB B:PHE114 4.0 5.5 1.0 NE2 B:HIS117 4.1 6.7 1.0 NE2 B:HIS46 4.1 6.3 1.0 N B:HIS46 4.1 5.4 1.0 CD2 B:HIS117 4.1 6.2 1.0 CD2 B:HIS46 4.2 5.2 1.0 N B:ASN47 4.5 5.4 1.0 C B:HIS46 4.5 4.8 1.0 CG B:MET121 4.6 8.1 1.0 CA B:CYS112 4.6 5.4 1.0 N B:PHE114 4.8 5.1 1.0 CB B:MET121 4.9 6.6 1.0 CA B:HIS117 4.9 5.9 1.0 CG B:PHE114 4.9 5.9 1.0 CA B:PHE114 5.0 5.9 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