Copper in PDB 4ko5: Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/W48L/V95I/Y108F)

The structure of Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/W48L/V95I/Y108F), PDB code: 4ko5 was solved by K.K.Inampudi, Y.Wang, W.Meng, P.H.Tobin, C.J.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.25 / 1.79
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.920, 55.620, 83.580, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 24

The binding sites of Copper atom in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/W48L/V95I/Y108F) (pdb code 4ko5). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/W48L/V95I/Y108F), PDB code: 4ko5:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/W48L/V95I/Y108F)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/W48L/V95I/Y108F) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:13.1 occ:1.00 ND1 A:HIS46 2.0 8.0 1.0 ND1 A:HIS117 2.0 11.1 1.0 SG A:CYS112 2.2 11.0 1.0 O A:GLY45 2.7 10.9 1.0 CE1 A:HIS46 2.9 10.2 1.0 CE1 A:HIS117 3.0 11.6 1.0 CG A:HIS46 3.1 9.3 1.0 CG A:HIS117 3.1 14.9 1.0 SD A:MET121 3.2 13.9 1.0 CA A:HIS46 3.3 9.8 1.0 CB A:CYS112 3.3 10.7 1.0 CB A:HIS117 3.4 10.2 1.0 CB A:HIS46 3.5 9.1 1.0 C A:GLY45 3.6 11.2 1.0 CE A:MET121 3.8 12.9 1.0 N A:HIS46 3.8 9.6 1.0 CB A:PHE114 3.9 9.8 1.0 NE2 A:HIS46 4.1 10.1 1.0 NE2 A:HIS117 4.1 12.1 1.0 CD2 A:HIS46 4.1 9.9 1.0 CD2 A:HIS117 4.2 12.6 1.0 C A:HIS46 4.5 9.6 1.0 N A:ASN47 4.6 10.2 1.0 CA A:CYS112 4.7 9.5 1.0 CG A:MET121 4.7 14.7 1.0 CG A:PHE114 4.7 10.4 1.0 N A:PHE114 4.8 10.2 1.0 CA A:PHE114 4.9 11.3 1.0 CA A:HIS117 4.9 11.8 1.0 CA A:GLY45 5.0 8.7 1.0

Copper binding site 2 out of 2 in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/W48L/V95I/Y108F)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/W48L/V95I/Y108F) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:12.6 occ:1.00 ND1 B:HIS117 2.0 9.7 1.0 ND1 B:HIS46 2.1 7.3 1.0 SG B:CYS112 2.3 20.0 1.0 CE1 B:HIS117 2.9 10.3 1.0 O B:GLY45 3.0 11.7 1.0 CE1 B:HIS46 3.0 9.5 1.0 CG B:HIS117 3.1 9.9 1.0 CG B:HIS46 3.1 8.3 1.0 SD B:MET121 3.1 11.2 1.0 CB B:CYS112 3.3 20.0 1.0 CA B:HIS46 3.4 9.7 1.0 CB B:HIS117 3.4 13.1 1.0 CB B:HIS46 3.5 9.2 1.0 CE B:MET121 3.8 9.7 1.0 C B:GLY45 3.9 11.2 1.0 CB B:PHE114 3.9 10.8 1.0 N B:HIS46 4.1 10.2 1.0 NE2 B:HIS117 4.1 8.0 1.0 NE2 B:HIS46 4.1 10.0 1.0 CD2 B:HIS117 4.1 11.7 1.0 CD2 B:HIS46 4.2 8.7 1.0 C B:HIS46 4.5 9.6 1.0 N B:ASN47 4.6 11.0 1.0 CG B:PHE114 4.6 12.0 1.0 CG B:MET121 4.7 11.2 1.0 CA B:CYS112 4.7 10.4 1.0 N B:PHE114 4.9 9.9 1.0 CA B:HIS117 4.9 11.1 1.0 CA B:PHE114 5.0 10.7 1.0 CB B:MET121 5.0 11.0 1.0

K.K.Inampudi, Y.Wang, W.Meng, P.H.Tobin, C.J.Wilson. Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/W48L/V95I/Y108F) To Be Published.