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Copper in PDB 3jtb: Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin

Protein crystallography data

The structure of Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin, PDB code: 3jtb was solved by Y.G.Gao, H.Robinson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 49.740, 63.790, 85.150, 90.00, 91.12, 90.00
R / Rfree (%) 22.7 / 25.9

Copper Binding Sites:

The binding sites of Copper atom in the Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin (pdb code 3jtb). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin, PDB code: 3jtb:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in 3jtb

Go back to Copper Binding Sites List in 3jtb
Copper binding site 1 out of 4 in the Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu129

b:24.6
occ:1.00
ND1 A:HIS46 2.1 19.9 1.0
SG A:CYS112 2.2 23.8 1.0
CE A:MET121 2.2 29.7 1.0
ND1 A:HIS117 2.3 33.1 1.0
O A:GLY45 2.8 44.6 1.0
CE1 A:HIS46 2.9 22.1 1.0
CG A:HIS46 3.1 20.7 1.0
CB A:CYS112 3.2 17.4 1.0
CG A:HIS117 3.2 26.6 1.0
CE1 A:HIS117 3.2 29.3 1.0
SD A:MET121 3.2 21.7 1.0
CA A:HIS46 3.4 17.5 1.0
CB A:HIS117 3.5 17.9 1.0
CB A:HIS46 3.6 22.3 1.0
C A:GLY45 3.8 21.1 1.0
CB A:ASN114 4.0 13.0 1.0
N A:HIS46 4.0 15.6 1.0
NE2 A:HIS46 4.1 33.5 1.0
CD2 A:HIS46 4.2 18.9 1.0
CD2 A:HIS117 4.3 18.5 1.0
NE2 A:HIS117 4.3 18.7 1.0
CG A:MET121 4.3 30.2 1.0
N A:SER47 4.5 24.5 1.0
C A:HIS46 4.5 20.9 1.0
CA A:CYS112 4.6 9.7 1.0
N A:ASN114 4.8 24.0 1.0
CG A:ASN114 4.8 21.7 1.0
CB A:MET121 4.9 24.5 1.0
C A:CYS112 4.9 14.8 1.0
CA A:HIS117 4.9 20.8 1.0

Copper binding site 2 out of 4 in 3jtb

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Copper binding site 2 out of 4 in the Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu129

b:24.6
occ:1.00
ND1 B:HIS46 2.1 22.7 1.0
ND1 B:HIS117 2.2 25.2 1.0
SG B:CYS112 2.2 23.1 1.0
O B:GLY45 2.8 17.8 1.0
CE1 B:HIS46 2.9 30.2 1.0
SD B:MET121 3.2 22.9 1.0
CE1 B:HIS117 3.2 27.7 1.0
CG B:HIS117 3.2 24.2 1.0
CG B:HIS46 3.2 19.6 1.0
CA B:HIS46 3.4 23.6 1.0
CB B:CYS112 3.5 25.0 1.0
CB B:HIS117 3.5 14.4 1.0
CB B:HIS46 3.8 17.5 1.0
C B:GLY45 3.8 16.8 1.0
CE B:MET121 3.8 27.9 1.0
N B:HIS46 4.1 19.4 1.0
CB B:ASN114 4.1 19.9 1.0
NE2 B:HIS46 4.1 19.2 1.0
CD2 B:HIS46 4.3 10.4 1.0
NE2 B:HIS117 4.3 25.4 1.0
CD2 B:HIS117 4.3 23.5 1.0
N B:SER47 4.5 24.6 1.0
C B:HIS46 4.5 15.4 1.0
CG B:MET121 4.7 15.6 1.0
CA B:CYS112 4.8 23.5 1.0
CG B:ASN114 5.0 22.9 1.0
CB B:MET121 5.0 21.5 1.0

Copper binding site 3 out of 4 in 3jtb

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Copper binding site 3 out of 4 in the Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu129

b:26.1
occ:1.00
ND1 C:HIS46 2.0 23.3 1.0
CE C:MET121 2.1 40.0 1.0
SG C:CYS112 2.2 19.9 1.0
ND1 C:HIS117 2.2 24.5 1.0
CE1 C:HIS46 2.4 34.5 1.0
O C:GLY45 2.8 31.3 1.0
CG C:HIS46 2.8 33.6 1.0
SD C:MET121 3.1 23.8 1.0
CG C:HIS117 3.1 39.9 1.0
CB C:CYS112 3.1 22.4 1.0
CE1 C:HIS117 3.3 22.3 1.0
NE2 C:HIS46 3.3 30.6 1.0
CB C:HIS117 3.3 37.0 1.0
CA C:HIS46 3.4 38.9 1.0
CD2 C:HIS46 3.5 37.9 1.0
CB C:HIS46 3.6 35.8 1.0
C C:GLY45 3.8 24.2 1.0
CB C:ASN114 4.0 21.1 1.0
N C:HIS46 4.1 35.9 1.0
CD2 C:HIS117 4.3 36.2 1.0
NE2 C:HIS117 4.4 31.1 1.0
N C:SER47 4.5 40.5 1.0
C C:HIS46 4.5 39.0 1.0
CA C:CYS112 4.6 30.8 1.0
CG C:MET121 4.6 26.8 1.0
CA C:HIS117 4.8 29.7 1.0
N C:ASN114 4.8 27.1 1.0
CB C:MET121 4.9 22.8 1.0
CG C:ASN114 4.9 25.9 1.0

Copper binding site 4 out of 4 in 3jtb

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Copper binding site 4 out of 4 in the Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu129

b:23.7
occ:1.00
ND1 D:HIS46 2.1 17.3 1.0
ND1 D:HIS117 2.3 22.9 1.0
SG D:CYS112 2.3 23.0 1.0
O D:GLY45 2.8 40.6 1.0
CE1 D:HIS46 3.1 24.9 1.0
CG D:HIS46 3.1 24.3 1.0
CE1 D:HIS117 3.2 25.5 1.0
SD D:MET121 3.2 23.3 1.0
CA D:HIS46 3.3 21.5 1.0
CG D:HIS117 3.3 26.6 1.0
CE D:MET121 3.4 45.3 1.0
CB D:HIS46 3.4 26.4 1.0
CB D:CYS112 3.5 25.1 1.0
CB D:HIS117 3.6 29.7 1.0
C D:GLY45 3.7 30.4 1.0
N D:HIS46 3.9 23.8 1.0
CB D:ASN114 4.0 22.7 1.0
NE2 D:HIS46 4.2 22.5 1.0
CD2 D:HIS46 4.2 23.8 1.0
NE2 D:HIS117 4.3 22.8 1.0
CD2 D:HIS117 4.4 28.3 1.0
N D:SER47 4.5 21.6 1.0
C D:HIS46 4.5 20.7 1.0
CG D:MET121 4.8 21.9 1.0
CA D:CYS112 4.8 23.8 1.0
CG D:ASN114 4.9 28.2 1.0
N D:ASN114 4.9 24.7 1.0

Reference:

N.M.Marshall, D.K.Garner, T.D.Wilson, Y.G.Gao, H.Robinson, M.J.Nilges, Y.Lu. Rationally Tuning the Reduction Potential of A Single Cupredoxin Beyond the Natural Range. Nature V. 462 113 2009.
ISSN: ISSN 0028-0836
PubMed: 19890331
DOI: 10.1038/NATURE08551
Page generated: Fri Sep 4 08:06:48 2020
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