Copper in PDB 3fsw: Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaam)

The structure of Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaam), PDB code: 3fsw was solved by M.J.Banfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.80 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	36.686, 56.700, 58.242, 111.96, 95.38, 105.12
R / Rfree (%)	18.9 / 25.6

The binding sites of Copper atom in the Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaam) (pdb code 3fsw). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaam), PDB code: 3fsw:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaam)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaam) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:10.5 occ:1.00 ND1 A:HIS46 2.0 8.0 1.0 ND1 A:HIS117 2.1 11.4 1.0 SG A:CYS112 2.2 8.9 1.0 CE1 A:HIS46 2.9 7.1 1.0 CG A:HIS46 3.0 6.8 1.0 CG A:HIS117 3.1 10.8 1.0 CE1 A:HIS117 3.1 12.2 1.0 CB A:CYS112 3.2 8.5 1.0 O A:GLY45 3.2 9.8 1.0 SD A:MET121 3.3 9.5 1.0 CB A:HIS117 3.3 11.1 1.0 CB A:HIS46 3.4 7.8 1.0 CA A:HIS46 3.4 7.9 1.0 CB A:ALA114 3.6 10.5 1.0 CE A:MET121 3.7 8.5 1.0 C A:GLY45 4.0 9.6 1.0 NE2 A:HIS46 4.0 7.3 1.0 CD2 A:HIS46 4.1 6.3 1.0 N A:HIS46 4.1 8.6 1.0 NE2 A:HIS117 4.2 10.7 1.0 CD2 A:HIS117 4.2 10.8 1.0 CA A:CYS112 4.6 8.7 1.0 C A:HIS46 4.6 7.5 1.0 N A:ASN47 4.7 7.5 1.0 N A:ALA114 4.7 10.3 1.0 CG A:MET121 4.7 10.0 1.0 CA A:ALA114 4.8 10.7 1.0 CA A:HIS117 4.8 11.2 1.0 C A:CYS112 5.0 9.0 1.0

Copper binding site 2 out of 4 in the Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaam)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaam) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:9.0 occ:1.00 ND1 B:HIS117 2.0 12.8 1.0 ND1 B:HIS46 2.0 6.3 1.0 SG B:CYS112 2.1 8.7 1.0 CE1 B:HIS46 2.8 7.6 1.0 CE1 B:HIS117 2.9 14.6 1.0 CG B:HIS117 3.0 13.8 1.0 CG B:HIS46 3.1 8.1 1.0 SD B:MET121 3.1 13.9 1.0 O B:GLY45 3.2 8.5 1.0 CB B:CYS112 3.2 9.2 1.0 CB B:HIS117 3.3 13.8 1.0 CA B:HIS46 3.5 8.5 1.0 CB B:HIS46 3.6 8.5 1.0 CE B:MET121 3.8 11.0 1.0 NE2 B:HIS46 4.0 6.1 1.0 CB B:ALA114 4.0 13.1 1.0 NE2 B:HIS117 4.0 15.1 1.0 C B:GLY45 4.0 8.8 1.0 CD2 B:HIS117 4.1 13.7 1.0 CD2 B:HIS46 4.1 7.1 1.0 N B:HIS46 4.2 8.8 1.0 CA B:CYS112 4.6 9.2 1.0 CG B:MET121 4.6 13.4 1.0 N B:ASN47 4.7 8.4 1.0 C B:HIS46 4.7 8.4 1.0 CA B:HIS117 4.8 14.0 1.0 N B:ALA114 4.9 12.3 1.0 CB B:MET121 5.0 13.4 1.0 C B:CYS112 5.0 9.3 1.0

Copper binding site 3 out of 4 in the Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaam)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaam) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu201 b:9.4 occ:1.00 ND1 C:HIS46 2.0 11.2 1.0 ND1 C:HIS117 2.0 11.0 1.0 SG C:CYS112 2.1 6.9 1.0 CE1 C:HIS46 2.9 10.7 1.0 CE1 C:HIS117 3.0 10.2 1.0 CG C:HIS117 3.0 11.5 1.0 CG C:HIS46 3.0 10.2 1.0 CB C:CYS112 3.2 8.2 1.0 O C:GLY45 3.3 12.1 1.0 CB C:HIS117 3.4 11.1 1.0 SD C:MET121 3.4 7.7 1.0 CB C:HIS46 3.4 10.7 1.0 CA C:HIS46 3.4 10.8 1.0 CB C:ALA114 3.9 10.3 1.0 CE C:MET121 4.0 8.9 1.0 NE2 C:HIS46 4.1 9.4 1.0 C C:GLY45 4.1 12.4 1.0 NE2 C:HIS117 4.1 11.0 1.0 CD2 C:HIS46 4.1 9.5 1.0 CD2 C:HIS117 4.2 11.3 1.0 N C:HIS46 4.2 11.3 1.0 N C:ASN47 4.6 10.3 1.0 CA C:CYS112 4.6 8.2 1.0 C C:HIS46 4.6 10.6 1.0 N C:ALA114 4.8 10.4 1.0 CG C:MET121 4.8 9.5 1.0 CA C:HIS117 4.8 11.0 1.0 CA C:ALA114 4.9 11.1 1.0

Copper binding site 4 out of 4 in the Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaam)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaam) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu201 b:11.3 occ:1.00 ND1 D:HIS117 2.0 13.6 1.0 ND1 D:HIS46 2.0 6.8 1.0 SG D:CYS112 2.1 13.1 1.0 CG D:HIS117 2.9 16.6 1.0 CE1 D:HIS46 3.0 5.9 1.0 CG D:HIS46 3.0 6.7 1.0 CE1 D:HIS117 3.1 13.6 1.0 CB D:HIS117 3.1 17.7 1.0 CB D:CYS112 3.2 13.4 1.0 SD D:MET121 3.2 13.6 1.0 O D:GLY45 3.2 8.5 1.0 CB D:HIS46 3.4 7.8 1.0 CA D:HIS46 3.4 8.0 1.0 CB D:ALA114 3.8 15.4 1.0 CE D:MET121 3.9 12.5 1.0 C D:GLY45 4.0 8.8 1.0 CD2 D:HIS117 4.1 16.3 1.0 NE2 D:HIS46 4.1 5.6 1.0 N D:HIS46 4.1 8.5 1.0 NE2 D:HIS117 4.1 16.0 1.0 CD2 D:HIS46 4.2 5.3 1.0 CA D:CYS112 4.6 13.5 1.0 C D:HIS46 4.6 8.3 1.0 CA D:HIS117 4.7 17.7 1.0 N D:ASN47 4.7 8.6 1.0 CG D:MET121 4.7 16.6 1.0 CA D:ALA114 4.9 15.6 1.0 N D:ALA114 4.9 15.2 1.0 O D:HOH147 5.0 10.9 1.0 CB D:MET121 5.0 18.4 1.0 C D:CYS112 5.0 13.8 1.0

K.Sato, C.Li, I.Salard, A.J.Thompson, M.J.Banfield, C.Dennison. Metal-Binding Loop Length and Not Sequence Dictates Structure. Proc.Natl.Acad.Sci.Usa V. 106 5616 2009.
ISSN: ISSN 0027-8424
PubMed: 19299503
DOI: 10.1073/PNAS.0811324106