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

Protein crystallography data

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

Copper Binding Sites:

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 3fsw

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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 3fsw

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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 3fsw

Go back to Copper Binding Sites List in 3fsw
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 3fsw

Go back to Copper Binding Sites List in 3fsw
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

Reference:

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
Page generated: Thu Sep 3 17:13:20 2020
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