Copper in PDB 4ko9: Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V95I/Y108F)

The structure of Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V95I/Y108F), PDB code: 4ko9 was solved by K.K.Inampudi, 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)	31.60 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.682, 97.054, 100.276, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 22.6

The binding sites of Copper atom in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V95I/Y108F) (pdb code 4ko9). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 8 binding sites of Copper where determined in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V95I/Y108F), PDB code: 4ko9:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Copper binding site 1 out of 8 in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (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 (V95I/Y108F) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:22.1 occ:1.00 ND1 A:HIS46 2.0 18.8 1.0 ND1 A:HIS117 2.2 21.6 1.0 SG A:CYS112 2.4 19.7 1.0 O A:GLY45 2.6 20.1 1.0 CE1 A:HIS46 2.9 19.8 1.0 CG A:HIS46 3.1 21.2 1.0 CG A:HIS117 3.2 25.1 1.0 CE1 A:HIS117 3.2 21.4 1.0 CA A:HIS46 3.3 17.6 1.0 SD A:MET121 3.3 23.2 1.0 CB A:CYS112 3.3 18.6 1.0 CB A:HIS117 3.4 23.5 1.0 C A:GLY45 3.6 22.0 1.0 CB A:HIS46 3.6 17.8 1.0 CB A:PHE114 3.8 19.9 1.0 N A:HIS46 3.9 17.2 1.0 NE2 A:HIS46 4.1 22.4 1.0 CE A:MET121 4.1 19.6 1.0 CD2 A:HIS46 4.2 18.0 1.0 NE2 A:HIS117 4.3 23.4 1.0 CD2 A:HIS117 4.3 23.8 1.0 C A:HIS46 4.5 19.2 1.0 N A:ASN47 4.5 18.2 1.0 CG A:PHE114 4.6 24.9 1.0 CA A:CYS112 4.7 18.4 1.0 CG A:MET121 4.8 21.4 1.0 N A:PHE114 4.8 20.4 1.0 CA A:PHE114 4.9 23.4 1.0 O A:MET44 4.9 22.9 1.0 CA A:HIS117 4.9 22.2 1.0 CA A:GLY45 4.9 23.7 1.0 CD1 A:PHE114 5.0 21.6 1.0

Copper binding site 2 out of 8 in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (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 (V95I/Y108F) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu202 b:40.1 occ:1.00 O A:ALA1 2.4 25.3 1.0 NE2 B:HIS83 2.5 25.5 1.0 N A:ALA1 2.5 27.9 1.0 O B:HOH433 2.6 22.0 1.0 O A:HOH336 2.7 23.6 1.0 CD2 B:HIS83 2.9 22.3 1.0 C A:ALA1 3.1 27.8 1.0 CA A:ALA1 3.2 26.8 1.0 CB A:ALA1 3.7 27.0 1.0 CE1 B:HIS83 3.7 24.4 1.0 O A:HOH437 3.9 29.1 1.0 O B:HOH333 4.1 28.5 1.0 OG A:SER25 4.2 29.3 1.0 CG B:HIS83 4.3 22.6 1.0 SG A:CYS3 4.4 20.2 1.0 O A:HOH362 4.4 29.9 1.0 N A:GLU2 4.4 30.4 1.0 ND1 B:HIS83 4.6 24.6 1.0 O B:HOH332 5.0 24.1 1.0 O B:HOH431 5.0 20.9 1.0

Copper binding site 3 out of 8 in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V95I/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 (V95I/Y108F) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:22.0 occ:1.00 ND1 B:HIS117 2.0 21.4 1.0 ND1 B:HIS46 2.0 18.5 1.0 SG B:CYS112 2.4 19.2 1.0 O B:GLY45 2.6 21.3 1.0 CE1 B:HIS117 2.9 22.6 1.0 CE1 B:HIS46 3.0 18.7 1.0 CG B:HIS117 3.1 20.9 1.0 CG B:HIS46 3.1 22.5 1.0 SD B:MET121 3.3 21.2 1.0 CA B:HIS46 3.3 20.2 1.0 CB B:CYS112 3.3 17.0 1.0 CB B:HIS46 3.4 18.1 1.0 CB B:HIS117 3.4 20.1 1.0 C B:GLY45 3.6 21.2 1.0 CE B:MET121 3.8 20.8 1.0 CB B:PHE114 3.9 19.3 1.0 N B:HIS46 3.9 19.5 1.0 NE2 B:HIS117 4.1 22.0 1.0 NE2 B:HIS46 4.1 20.9 1.0 CD2 B:HIS117 4.1 22.9 1.0 CD2 B:HIS46 4.2 21.1 1.0 C B:HIS46 4.5 18.2 1.0 N B:ASN47 4.6 14.9 1.0 CG B:PHE114 4.7 22.0 1.0 CA B:CYS112 4.8 18.4 1.0 N B:PHE114 4.8 18.4 1.0 CG B:MET121 4.9 20.0 1.0 O B:MET44 4.9 22.9 1.0 CA B:HIS117 4.9 20.6 1.0 CA B:GLY45 4.9 20.1 1.0 CA B:PHE114 5.0 20.2 1.0

Copper binding site 4 out of 8 in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V95I/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 (V95I/Y108F) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu202 b:30.9 occ:1.00 O B:ALA1 2.4 25.6 1.0 N B:ALA1 2.4 22.6 1.0 O B:HOH432 2.7 17.9 1.0 C B:ALA1 3.1 25.9 1.0 CA B:ALA1 3.1 24.1 1.0 CB B:ALA1 3.8 22.6 1.0 SG B:CYS3 4.2 19.4 1.0 N B:GLU2 4.4 28.5 1.0 OG B:SER25 4.9 22.6 1.0

Copper binding site 5 out of 8 in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V95I/Y108F)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V95I/Y108F) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu201 b:24.7 occ:1.00 ND1 C:HIS117 2.0 17.9 1.0 ND1 C:HIS46 2.0 19.3 1.0 SG C:CYS112 2.4 21.7 1.0 O C:GLY45 2.6 19.5 1.0 CE1 C:HIS46 2.9 21.2 1.0 CE1 C:HIS117 2.9 21.4 1.0 CG C:HIS117 3.1 22.0 1.0 CG C:HIS46 3.1 21.4 1.0 SD C:MET121 3.2 19.5 1.0 CA C:HIS46 3.3 18.9 1.0 CB C:CYS112 3.4 19.0 1.0 CB C:HIS117 3.5 20.5 1.0 CB C:HIS46 3.6 18.2 1.0 C C:GLY45 3.6 23.0 1.0 CB C:PHE114 3.8 20.4 1.0 CE C:MET121 3.8 20.4 1.0 N C:HIS46 3.9 19.9 1.0 NE2 C:HIS117 4.1 21.3 1.0 NE2 C:HIS46 4.1 21.4 1.0 CD2 C:HIS117 4.2 21.5 1.0 CD2 C:HIS46 4.2 19.1 1.0 C C:HIS46 4.5 19.1 1.0 N C:ASN47 4.6 16.7 1.0 CG C:PHE114 4.6 22.7 1.0 CG C:MET121 4.7 20.6 1.0 CA C:CYS112 4.8 18.1 1.0 N C:PHE114 4.8 21.0 1.0 O C:MET44 4.9 21.9 1.0 CA C:PHE114 4.9 20.2 1.0 CA C:GLY45 4.9 21.3 1.0 CA C:HIS117 5.0 20.4 1.0

Copper binding site 6 out of 8 in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V95I/Y108F)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V95I/Y108F) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu202 b:40.8 occ:1.00 O C:ALA1 2.3 26.8 1.0 N C:ALA1 2.4 31.1 1.0 NE2 D:HIS83 2.4 26.8 1.0 O C:HOH460 2.6 33.5 1.0 O C:HOH351 2.6 21.3 1.0 O C:HOH458 2.7 28.6 1.0 CD2 D:HIS83 3.0 22.6 1.0 C C:ALA1 3.1 30.0 1.0 CA C:ALA1 3.2 28.1 1.0 CE1 D:HIS83 3.7 23.2 1.0 O D:HOH428 3.7 34.5 1.0 CB C:ALA1 4.0 26.9 1.0 O C:HOH437 4.1 36.6 1.0 O C:HOH472 4.2 35.7 1.0 CG D:HIS83 4.3 21.8 1.0 N C:GLU2 4.4 28.3 1.0 OG C:SER25 4.5 24.4 1.0 SG C:CYS3 4.5 20.8 1.0 ND1 D:HIS83 4.6 21.7 1.0 O C:HOH355 4.6 30.1 1.0 O C:HOH409 4.7 31.6 1.0 O D:HOH337 4.7 26.8 1.0 O D:HOH373 4.8 35.7 1.0 CA C:GLU2 5.0 28.7 1.0

Copper binding site 7 out of 8 in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V95I/Y108F)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V95I/Y108F) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu201 b:23.2 occ:1.00 ND1 D:HIS46 2.0 17.9 1.0 ND1 D:HIS117 2.1 22.5 1.0 SG D:CYS112 2.4 20.4 1.0 O D:GLY45 2.6 18.9 1.0 CE1 D:HIS46 2.9 19.5 1.0 CE1 D:HIS117 3.0 23.9 1.0 CG D:HIS46 3.1 20.6 1.0 CG D:HIS117 3.1 23.6 1.0 CB D:CYS112 3.3 18.2 1.0 CA D:HIS46 3.3 18.6 1.0 SD D:MET121 3.3 20.9 1.0 CB D:HIS117 3.5 20.7 1.0 CB D:HIS46 3.5 17.9 1.0 C D:GLY45 3.6 21.6 1.0 CB D:PHE114 3.7 21.8 1.0 CE D:MET121 3.8 18.9 1.0 N D:HIS46 3.9 18.6 1.0 NE2 D:HIS46 4.1 21.0 1.0 NE2 D:HIS117 4.1 22.0 1.0 CD2 D:HIS46 4.2 19.3 1.0 CD2 D:HIS117 4.2 20.9 1.0 C D:HIS46 4.5 19.6 1.0 N D:ASN47 4.5 17.6 1.0 CG D:PHE114 4.6 23.7 1.0 CA D:CYS112 4.7 19.1 1.0 N D:PHE114 4.8 22.4 1.0 CG D:MET121 4.8 21.6 1.0 CA D:PHE114 4.9 22.8 1.0 CA D:GLY45 5.0 21.2 1.0

Copper binding site 8 out of 8 in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V95I/Y108F)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V95I/Y108F) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu202 b:40.5 occ:1.00 O D:ALA1 2.3 25.6 1.0 O D:HOH427 2.5 30.3 1.0 N D:ALA1 2.5 29.7 1.0 O D:HOH399 2.6 27.2 1.0 C D:ALA1 3.1 31.6 1.0 CA D:ALA1 3.2 30.6 1.0 CB D:ALA1 3.7 26.0 1.0 OG D:SER25 4.2 29.6 1.0 O D:HOH334 4.2 24.0 1.0 SG D:CYS3 4.2 23.9 1.0 N D:GLU2 4.4 29.2 1.0 O D:HOH360 4.6 32.1 1.0

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