Copper in PDB 4ko6: Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95K/Y108F)

The structure of Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95K/Y108F), PDB code: 4ko6 was solved by K.K.Inampudi, 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)	32.87 / 1.74
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.666, 50.172, 70.806, 90.00, 99.30, 90.00
R / Rfree (%)	22.6 / 27.3

The binding sites of Copper atom in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95K/Y108F) (pdb code 4ko6). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95K/Y108F), PDB code: 4ko6:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95K/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/V95K/Y108F) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:13.1 occ:1.00 ND1 A:HIS117 2.0 7.8 1.0 ND1 A:HIS46 2.0 11.9 1.0 SG A:CYS112 2.3 8.1 1.0 O A:GLY45 2.5 7.9 1.0 CE1 A:HIS46 2.9 9.6 1.0 CE1 A:HIS117 2.9 10.2 1.0 CG A:HIS117 3.0 10.4 1.0 CG A:HIS46 3.1 9.8 1.0 SD A:MET121 3.2 10.0 1.0 CA A:HIS46 3.3 8.9 1.0 CB A:CYS112 3.4 9.4 1.0 CB A:HIS117 3.4 8.7 1.0 CB A:HIS46 3.5 8.3 1.0 C A:GLY45 3.5 8.8 1.0 CB A:PHE114 3.8 8.6 1.0 N A:HIS46 3.9 7.4 1.0 NE2 A:HIS117 4.0 9.0 1.0 NE2 A:HIS46 4.0 10.4 1.0 CE A:MET121 4.1 9.7 1.0 CD2 A:HIS117 4.1 9.2 1.0 CD2 A:HIS46 4.2 9.3 1.0 C A:HIS46 4.5 11.1 1.0 CG A:MET121 4.6 11.3 1.0 N A:ASN47 4.6 9.2 1.0 CG A:PHE114 4.6 10.5 1.0 CA A:CYS112 4.8 6.3 1.0 N A:PHE114 4.8 7.3 1.0 CA A:PHE114 4.9 7.6 1.0 CA A:GLY45 4.9 10.3 1.0 CA A:HIS117 5.0 10.4 1.0

Copper binding site 2 out of 4 in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95K/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/V95K/Y108F) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:11.1 occ:1.00 ND1 B:HIS117 2.0 9.8 1.0 ND1 B:HIS46 2.0 8.2 1.0 SG B:CYS112 2.3 7.2 1.0 O B:GLY45 2.4 11.3 1.0 CE1 B:HIS46 2.9 9.6 1.0 CE1 B:HIS117 2.9 9.0 1.0 CG B:HIS117 3.1 7.2 1.0 CG B:HIS46 3.1 9.8 1.0 CA B:HIS46 3.3 7.4 1.0 SD B:MET121 3.3 10.2 1.0 CB B:CYS112 3.4 7.6 1.0 C B:GLY45 3.4 8.7 1.0 CB B:HIS117 3.4 6.6 1.0 CB B:HIS46 3.6 7.5 1.0 CB B:PHE114 3.8 8.4 1.0 N B:HIS46 3.8 6.8 1.0 NE2 B:HIS46 4.1 9.8 1.0 NE2 B:HIS117 4.1 7.5 1.0 CE B:MET121 4.1 10.2 1.0 CD2 B:HIS117 4.2 9.3 1.0 CD2 B:HIS46 4.2 9.7 1.0 C B:HIS46 4.4 8.9 1.0 N B:ASN47 4.5 9.0 1.0 CG B:PHE114 4.5 7.2 1.0 CA B:GLY45 4.8 9.8 1.0 CA B:CYS112 4.8 8.0 1.0 CG B:MET121 4.8 13.2 1.0 N B:PHE114 4.9 8.8 1.0 CA B:PHE114 4.9 9.2 1.0 O B:MET44 4.9 12.0 1.0 N B:GLY45 4.9 8.4 1.0 CD1 B:PHE114 4.9 9.9 1.0 CA B:HIS117 5.0 9.4 1.0

Copper binding site 3 out of 4 in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95K/Y108F)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95K/Y108F) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu201 b:10.8 occ:1.00 ND1 C:HIS117 1.9 8.7 1.0 ND1 C:HIS46 2.0 9.2 1.0 SG C:CYS112 2.3 8.9 1.0 O C:GLY45 2.6 10.4 1.0 CE1 C:HIS46 2.8 13.0 1.0 CE1 C:HIS117 2.8 10.6 1.0 CG C:HIS117 3.0 9.7 1.0 CG C:HIS46 3.1 10.5 1.0 SD C:MET121 3.3 11.6 1.0 CA C:HIS46 3.3 8.7 1.0 CB C:CYS112 3.3 9.2 1.0 CB C:HIS117 3.5 10.6 1.0 C C:GLY45 3.5 10.0 1.0 CB C:HIS46 3.7 10.1 1.0 CB C:PHE114 3.8 9.7 1.0 N C:HIS46 3.9 11.3 1.0 O C:HOH382 3.9 19.1 1.0 NE2 C:HIS117 4.0 10.6 1.0 NE2 C:HIS46 4.0 12.1 1.0 CE C:MET121 4.0 10.6 1.0 CD2 C:HIS117 4.1 11.3 1.0 CD2 C:HIS46 4.2 10.7 1.0 C C:HIS46 4.5 9.0 1.0 N C:ASN47 4.5 10.9 1.0 CG C:PHE114 4.6 10.7 1.0 CA C:CYS112 4.7 7.3 1.0 CG C:MET121 4.8 12.7 1.0 N C:PHE114 4.9 9.6 1.0 CA C:GLY45 4.9 11.2 1.0 CA C:PHE114 4.9 10.0 1.0 CD1 C:PHE114 5.0 9.4 1.0 CA C:HIS117 5.0 8.7 1.0

Copper binding site 4 out of 4 in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95K/Y108F)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95K/Y108F) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu201 b:30.0 occ:1.00 ND1 D:HIS46 1.9 11.4 1.0 ND1 D:HIS117 2.1 10.0 1.0 O D:GLY45 2.4 9.6 1.0 SG D:CYS112 2.4 8.1 1.0 CE1 D:HIS46 2.7 9.0 1.0 CG D:HIS46 3.0 9.5 1.0 CE1 D:HIS117 3.1 13.2 1.0 CG D:HIS117 3.1 10.7 1.0 SD D:MET121 3.2 11.9 1.0 CA D:HIS46 3.2 10.4 1.0 C D:GLY45 3.4 9.2 1.0 CB D:HIS46 3.5 10.7 1.0 CB D:HIS117 3.5 14.9 1.0 CB D:CYS112 3.5 11.8 1.0 N D:HIS46 3.7 12.5 1.0 CB D:PHE114 3.7 10.3 1.0 NE2 D:HIS46 3.9 7.9 1.0 CD2 D:HIS46 4.0 9.3 1.0 CE D:MET121 4.1 10.8 1.0 NE2 D:HIS117 4.2 12.4 1.0 CD2 D:HIS117 4.2 11.6 1.0 C D:HIS46 4.5 9.9 1.0 CG D:PHE114 4.5 9.9 1.0 N D:ASN47 4.6 8.7 1.0 CA D:GLY45 4.7 11.6 1.0 CG D:MET121 4.7 12.8 1.0 O D:MET44 4.8 10.9 1.0 N D:PHE114 4.8 9.8 1.0 CA D:PHE114 4.9 9.6 1.0 N D:GLY45 4.9 10.2 1.0 C D:MET44 4.9 13.0 1.0 CD1 D:PHE114 4.9 11.2 1.0 CA D:CYS112 4.9 10.9 1.0

K.K.Inampudi, W.Meng, P.H.Tobin, C.J.Wilson. Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95K/Y108F) To Be Published.