Copper in PDB 4ko7: Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/W48F/V95I)

The structure of Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/W48F/V95I), PDB code: 4ko7 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)	28.29 / 2.07
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.953, 84.750, 113.109, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 26.6

The binding sites of Copper atom in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/W48F/V95I) (pdb code 4ko7). 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/W48F/V95I), PDB code: 4ko7:
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/W48F/V95I)


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/W48F/V95I) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:21.0 occ:1.00 ND1 A:HIS46 1.9 18.9 1.0 ND1 A:HIS117 2.0 23.3 1.0 SG A:CYS112 2.2 21.7 1.0 O A:GLY45 2.7 23.8 1.0 CE1 A:HIS46 2.8 19.7 1.0 CE1 A:HIS117 2.9 21.2 1.0 CG A:HIS46 3.0 20.5 1.0 CG A:HIS117 3.0 23.3 1.0 SD A:MET121 3.1 23.4 1.0 CB A:CYS112 3.2 19.8 1.0 CA A:HIS46 3.3 20.9 1.0 CB A:HIS117 3.4 22.7 1.0 CB A:HIS46 3.5 20.7 1.0 C A:GLY45 3.6 21.8 1.0 N A:HIS46 3.9 21.6 1.0 CB A:PHE114 3.9 19.5 1.0 CE A:MET121 4.0 21.9 1.0 NE2 A:HIS46 4.0 22.2 1.0 NE2 A:HIS117 4.1 23.7 1.0 CD2 A:HIS46 4.1 21.4 1.0 CD2 A:HIS117 4.1 24.2 1.0 C A:HIS46 4.5 21.1 1.0 CG A:MET121 4.6 21.2 1.0 N A:ASN47 4.6 20.0 1.0 CA A:CYS112 4.7 19.8 1.0 CG A:PHE114 4.7 18.6 1.0 N A:PHE114 4.9 19.4 1.0 CA A:HIS117 4.9 21.9 1.0 CA A:PHE114 5.0 18.1 1.0 O A:MET44 5.0 23.9 1.0 CB A:MET121 5.0 22.3 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/W48F/V95I)


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/W48F/V95I) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:28.9 occ:1.00 ND1 B:HIS46 2.0 21.3 1.0 ND1 B:HIS117 2.1 23.8 1.0 SG B:CYS112 2.2 26.0 1.0 O B:GLY45 2.6 21.1 1.0 CE1 B:HIS46 2.9 22.9 1.0 CE1 B:HIS117 3.0 25.8 1.0 CG B:HIS46 3.1 21.2 1.0 CG B:HIS117 3.2 25.6 1.0 CB B:CYS112 3.2 24.8 1.0 CA B:HIS46 3.2 19.3 1.0 SD B:MET121 3.3 25.8 1.0 CB B:HIS46 3.5 20.4 1.0 CB B:HIS117 3.5 26.5 1.0 C B:GLY45 3.5 23.2 1.0 CE B:MET121 3.7 28.4 1.0 N B:HIS46 3.8 21.0 1.0 CB B:PHE114 3.8 23.0 1.0 NE2 B:HIS46 4.1 20.4 1.0 CD2 B:HIS46 4.1 22.7 1.0 NE2 B:HIS117 4.2 26.9 1.0 CD2 B:HIS117 4.2 25.3 1.0 C B:HIS46 4.5 18.3 1.0 CA B:CYS112 4.6 23.7 1.0 N B:ASN47 4.6 17.4 1.0 CG B:PHE114 4.7 25.7 1.0 CG B:MET121 4.7 24.8 1.0 N B:PHE114 4.9 20.1 1.0 CA B:PHE114 4.9 23.1 1.0 CA B:GLY45 4.9 24.7 1.0 CA B:HIS117 5.0 25.9 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/W48F/V95I)


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/W48F/V95I) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu201 b:20.8 occ:1.00 ND1 C:HIS46 2.1 18.5 1.0 SG C:CYS112 2.1 19.7 1.0 ND1 C:HIS117 2.1 19.7 1.0 O C:GLY45 2.9 21.7 1.0 CE1 C:HIS46 3.0 18.4 1.0 CE1 C:HIS117 3.1 19.8 1.0 CG C:HIS46 3.1 18.9 1.0 CG C:HIS117 3.1 19.0 1.0 SD C:MET121 3.1 22.9 1.0 CB C:CYS112 3.2 17.1 1.0 CA C:HIS46 3.3 20.1 1.0 CB C:HIS46 3.4 19.7 1.0 CB C:HIS117 3.5 20.0 1.0 C C:GLY45 3.7 21.4 1.0 CE C:MET121 3.8 22.0 1.0 CB C:PHE114 3.9 19.7 1.0 N C:HIS46 3.9 21.0 1.0 NE2 C:HIS46 4.1 19.0 1.0 NE2 C:HIS117 4.2 18.7 1.0 CD2 C:HIS46 4.2 19.5 1.0 CD2 C:HIS117 4.2 19.5 1.0 C C:HIS46 4.5 19.0 1.0 N C:ASN47 4.5 16.9 1.0 CA C:CYS112 4.6 16.2 1.0 CG C:MET121 4.7 22.2 1.0 CG C:PHE114 4.7 19.9 1.0 CB C:MET121 4.9 22.6 1.0 CA C:HIS117 4.9 20.6 1.0 N C:PHE114 5.0 17.6 1.0 CA C:PHE114 5.0 19.3 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/W48F/V95I)


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/W48F/V95I) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu201 b:20.9 occ:1.00 ND1 D:HIS117 1.9 26.4 1.0 SG D:CYS112 2.1 19.1 1.0 ND1 D:HIS46 2.1 21.1 1.0 O D:GLY45 2.6 23.0 1.0 CE1 D:HIS117 2.9 26.2 1.0 CG D:HIS117 3.0 22.9 1.0 CE1 D:HIS46 3.0 20.2 1.0 CG D:HIS46 3.2 19.5 1.0 CB D:CYS112 3.2 19.3 1.0 SD D:MET121 3.2 18.2 1.0 CA D:HIS46 3.3 19.4 1.0 CB D:HIS117 3.4 23.8 1.0 CB D:HIS46 3.6 18.5 1.0 C D:GLY45 3.6 19.4 1.0 CE D:MET121 3.8 18.8 1.0 N D:HIS46 3.9 19.1 1.0 CB D:PHE114 3.9 20.7 1.0 NE2 D:HIS117 4.0 25.9 1.0 CD2 D:HIS117 4.1 23.7 1.0 NE2 D:HIS46 4.2 20.3 1.0 CD2 D:HIS46 4.3 19.1 1.0 C D:HIS46 4.5 19.1 1.0 N D:ASN47 4.6 18.2 1.0 CA D:CYS112 4.6 18.8 1.0 CG D:PHE114 4.7 21.2 1.0 CG D:MET121 4.8 19.7 1.0 CA D:HIS117 4.9 23.4 1.0 N D:PHE114 4.9 19.0 1.0 CA D:GLY45 4.9 20.6 1.0 CB D:MET121 5.0 20.9 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/W48F/V95I) To Be Published.