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Copper in PDB 3np3: C112D/M121E Pseudomonas Aeruginosa Azurin

Protein crystallography data

The structure of C112D/M121E Pseudomonas Aeruginosa Azurin, PDB code: 3np3 was solved by K.M.Lancaster, H.B.Gray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.28 / 2.10
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 48.860, 54.240, 94.230, 90.00, 90.00, 90.00
R / Rfree (%) 21.4 / 26.5

Copper Binding Sites:

The binding sites of Copper atom in the C112D/M121E Pseudomonas Aeruginosa Azurin (pdb code 3np3). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the C112D/M121E Pseudomonas Aeruginosa Azurin, PDB code: 3np3:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in 3np3

Go back to Copper Binding Sites List in 3np3
Copper binding site 1 out of 2 in the C112D/M121E 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 C112D/M121E Pseudomonas Aeruginosa Azurin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu129

b:42.5
occ:1.00
OD2 A:ASP112 1.7 34.1 1.0
ND1 A:HIS46 2.0 31.8 1.0
ND1 A:HIS117 2.1 34.1 1.0
O A:GLY45 2.6 29.8 1.0
OE1 A:GLU121 2.7 46.2 1.0
CG A:ASP112 2.7 34.1 1.0
CE1 A:HIS46 2.9 35.2 1.0
CG A:HIS117 3.0 29.8 1.0
CG A:HIS46 3.0 32.5 1.0
CE1 A:HIS117 3.1 29.8 1.0
OD1 A:ASP112 3.3 40.4 1.0
CA A:HIS46 3.3 27.9 1.0
CB A:HIS117 3.3 29.6 1.0
CB A:HIS46 3.4 27.5 1.0
C A:GLY45 3.6 29.8 1.0
CD A:GLU121 3.7 45.9 1.0
CB A:PHE114 3.8 26.3 1.0
N A:HIS46 3.8 28.1 1.0
CB A:ASP112 3.9 29.5 1.0
OE2 A:GLU121 3.9 49.7 1.0
NE2 A:HIS46 4.0 34.1 1.0
CD2 A:HIS46 4.1 32.9 1.0
CD2 A:HIS117 4.1 34.8 1.0
NE2 A:HIS117 4.2 36.2 1.0
C A:HIS46 4.5 27.6 1.0
CG A:PHE114 4.5 30.8 1.0
N A:ASN47 4.7 26.8 1.0
CA A:HIS117 4.8 30.5 1.0
CA A:GLY45 4.9 29.8 1.0
O A:MET44 4.9 34.3 1.0
CD2 A:PHE114 4.9 31.3 1.0
CA A:PHE114 4.9 26.7 1.0

Copper binding site 2 out of 2 in 3np3

Go back to Copper Binding Sites List in 3np3
Copper binding site 2 out of 2 in the C112D/M121E 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 C112D/M121E Pseudomonas Aeruginosa Azurin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu130

b:51.5
occ:1.00
N A:ALA1 1.7 29.8 1.0
N A:TRS131 2.0 28.5 1.0
O A:ALA1 2.3 33.1 1.0
O1 A:TRS131 2.5 30.1 1.0
C A:TRS131 2.9 30.9 1.0
CA A:ALA1 3.0 31.1 1.0
C A:ALA1 3.0 32.1 1.0
C1 A:TRS131 3.0 29.4 1.0
C3 A:TRS131 3.6 31.0 1.0
CB A:ALA1 3.7 29.7 1.0
C2 A:TRS131 4.2 29.6 1.0
N A:GLU2 4.3 32.7 1.0
O A:HOH152 4.3 30.4 1.0
OG A:SER25 4.4 24.4 1.0
SG A:CYS3 4.4 31.0 1.0
O3 A:TRS131 4.4 33.4 1.0

Reference:

K.M.Lancaster, S.Sproules, J.H.Palmer, J.H.Richards, H.B.Gray. Outer-Sphere Effects on Reduction Potentials of Copper Sites in Proteins: the Curious Case of High Potential Type 2 C112D/M121E Pseudomonas Aeruginosa Azurin. J.Am.Chem.Soc. V. 132 14590 2010.
ISSN: ISSN 0002-7863
PubMed: 20879734
DOI: 10.1021/JA105731X
Page generated: Wed Oct 28 14:24:53 2020
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