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

The structure of Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95I), PDB code: 4kob 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)	30.85 / 1.87
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.250, 97.220, 100.600, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 22.6

The binding sites of Copper atom in the Investigating the Functional Significance of the Interlocked Pair Structural Determinants in Pseudomonas Aeruginosa Azurin (V31I/V95I) (pdb code 4kob). 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/V95I), PDB code: 4kob:
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/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/V95I) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:18.2 occ:1.00 ND1 A:HIS46 1.9 11.6 1.0 ND1 A:HIS117 2.1 16.5 1.0 SG A:CYS112 2.2 15.6 1.0 O A:GLY45 2.6 16.5 1.0 CE1 A:HIS46 2.8 15.1 1.0 CE1 A:HIS117 3.0 20.4 1.0 CG A:HIS46 3.0 14.2 1.0 CG A:HIS117 3.1 20.1 1.0 SD A:MET121 3.3 17.5 1.0 CB A:CYS112 3.3 17.0 1.0 CA A:HIS46 3.3 13.1 1.0 CB A:HIS117 3.5 19.0 1.0 CB A:HIS46 3.5 15.4 1.0 C A:GLY45 3.6 18.9 1.0 CB A:PHE114 3.7 14.9 1.0 N A:HIS46 3.9 11.8 1.0 NE2 A:HIS46 4.0 13.9 1.0 CE A:MET121 4.0 17.3 1.0 CD2 A:HIS46 4.1 12.5 1.0 NE2 A:HIS117 4.1 19.5 1.0 CD2 A:HIS117 4.2 18.8 1.0 C A:HIS46 4.5 15.1 1.0 CG A:PHE114 4.6 20.6 1.0 N A:ASN47 4.6 12.2 1.0 CA A:CYS112 4.7 13.7 1.0 CG A:MET121 4.8 19.8 1.0 N A:PHE114 4.8 17.0 1.0 CA A:PHE114 4.9 19.5 1.0 O A:MET44 4.9 16.1 1.0 CA A:GLY45 4.9 18.2 1.0 CD2 A:PHE114 5.0 19.2 1.0 CA A:HIS117 5.0 17.8 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/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/V95I) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:15.0 occ:1.00 ND1 B:HIS46 2.1 10.8 1.0 ND1 B:HIS117 2.1 13.4 1.0 SG B:CYS112 2.2 10.7 1.0 O B:GLY45 2.6 11.9 1.0 CE1 B:HIS46 3.0 13.8 1.0 CE1 B:HIS117 3.0 16.3 1.0 CG B:HIS117 3.1 12.0 1.0 CG B:HIS46 3.1 12.0 1.0 CA B:HIS46 3.3 10.1 1.0 CB B:CYS112 3.3 10.2 1.0 SD B:MET121 3.4 12.7 1.0 CB B:HIS117 3.4 11.1 1.0 CB B:HIS46 3.5 11.3 1.0 C B:GLY45 3.6 15.0 1.0 CB B:PHE114 3.8 11.5 1.0 CE B:MET121 3.9 12.6 1.0 N B:HIS46 3.9 10.2 1.0 NE2 B:HIS46 4.1 12.5 1.0 NE2 B:HIS117 4.2 14.2 1.0 CD2 B:HIS117 4.2 14.4 1.0 CD2 B:HIS46 4.2 13.3 1.0 C B:HIS46 4.5 10.8 1.0 N B:ASN47 4.6 10.9 1.0 CG B:PHE114 4.6 14.7 1.0 CA B:CYS112 4.7 10.3 1.0 N B:PHE114 4.8 12.9 1.0 CA B:PHE114 4.9 11.8 1.0 CA B:HIS117 4.9 12.0 1.0 CG B:MET121 4.9 11.8 1.0 CA B:GLY45 4.9 13.4 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/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/V95I) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu201 b:14.6 occ:1.00 ND1 C:HIS46 2.0 8.6 1.0 ND1 C:HIS117 2.0 11.9 1.0 SG C:CYS112 2.3 11.7 1.0 O C:GLY45 2.6 12.7 1.0 CE1 C:HIS46 2.9 11.0 1.0 CE1 C:HIS117 3.0 13.3 1.0 CG C:HIS117 3.1 14.4 1.0 CG C:HIS46 3.1 12.1 1.0 SD C:MET121 3.2 12.7 1.0 CB C:CYS112 3.3 10.9 1.0 CA C:HIS46 3.3 10.1 1.0 CB C:HIS117 3.5 11.4 1.0 CB C:HIS46 3.5 10.5 1.0 C C:GLY45 3.6 12.5 1.0 CE C:MET121 3.7 11.2 1.0 CB C:PHE114 3.8 10.5 1.0 N C:HIS46 3.9 11.1 1.0 NE2 C:HIS46 4.1 13.6 1.0 NE2 C:HIS117 4.1 14.1 1.0 CD2 C:HIS46 4.2 14.1 1.0 CD2 C:HIS117 4.2 13.4 1.0 C C:HIS46 4.5 11.1 1.0 N C:ASN47 4.6 9.3 1.0 CG C:PHE114 4.6 14.2 1.0 CA C:CYS112 4.7 10.8 1.0 CG C:MET121 4.7 11.4 1.0 N C:PHE114 4.8 10.2 1.0 CA C:PHE114 4.9 11.0 1.0 CA C:GLY45 4.9 13.6 1.0 CA C:HIS117 5.0 13.6 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/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/V95I) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu201 b:17.1 occ:1.00 ND1 D:HIS46 2.0 12.3 1.0 ND1 D:HIS117 2.1 17.2 1.0 SG D:CYS112 2.2 14.1 1.0 O D:GLY45 2.7 13.3 1.0 CE1 D:HIS46 2.9 14.6 1.0 CE1 D:HIS117 3.0 19.3 1.0 CG D:HIS117 3.1 16.8 1.0 CG D:HIS46 3.1 13.4 1.0 CB D:CYS112 3.3 10.8 1.0 SD D:MET121 3.3 15.7 1.0 CA D:HIS46 3.3 13.5 1.0 CB D:HIS117 3.4 12.9 1.0 CB D:HIS46 3.5 12.3 1.0 C D:GLY45 3.6 14.6 1.0 CB D:PHE114 3.8 17.5 1.0 N D:HIS46 3.9 10.8 1.0 CE D:MET121 4.0 12.7 1.0 NE2 D:HIS46 4.1 16.1 1.0 NE2 D:HIS117 4.1 16.8 1.0 CD2 D:HIS46 4.2 14.0 1.0 CD2 D:HIS117 4.2 16.1 1.0 C D:HIS46 4.5 12.4 1.0 N D:ASN47 4.6 12.9 1.0 CG D:PHE114 4.6 19.1 1.0 CA D:CYS112 4.7 12.8 1.0 CG D:MET121 4.7 14.1 1.0 N D:PHE114 4.8 16.5 1.0 CA D:PHE114 4.9 16.6 1.0 CA D:HIS117 5.0 16.4 1.0 CA D:GLY45 5.0 14.3 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/V95I) To Be Published.