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Copper in PDB 2fnw: Pseudomonas Aeruginosa E2Q/H83Q/M109H-Azurin Re(Phen)(Co)3

Protein crystallography data

The structure of Pseudomonas Aeruginosa E2Q/H83Q/M109H-Azurin Re(Phen)(Co)3, PDB code: 2fnw was solved by C.Gradinaru, B.R.Crane, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.40
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 30.935, 38.334, 48.835, 100.50, 106.25, 109.43
R / Rfree (%) n/a / 23.6

Other elements in 2fnw:

The structure of Pseudomonas Aeruginosa E2Q/H83Q/M109H-Azurin Re(Phen)(Co)3 also contains other interesting chemical elements:

Rhenium (Re) 4 atoms

Copper Binding Sites:

The binding sites of Copper atom in the Pseudomonas Aeruginosa E2Q/H83Q/M109H-Azurin Re(Phen)(Co)3 (pdb code 2fnw). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Pseudomonas Aeruginosa E2Q/H83Q/M109H-Azurin Re(Phen)(Co)3, PDB code: 2fnw:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in 2fnw

Go back to Copper Binding Sites List in 2fnw
Copper binding site 1 out of 2 in the Pseudomonas Aeruginosa E2Q/H83Q/M109H-Azurin Re(Phen)(Co)3


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Pseudomonas Aeruginosa E2Q/H83Q/M109H-Azurin Re(Phen)(Co)3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu901

b:10.4
occ:1.00
ND1 A:HIS117 2.1 12.4 1.0
ND1 A:HIS46 2.1 11.0 1.0
SG A:CYS112 2.2 9.6 1.0
CE1 A:HIS117 3.0 11.6 1.0
CE1 A:HIS46 3.0 8.4 1.0
O A:GLY45 3.1 8.0 1.0
CG A:HIS117 3.1 9.5 1.0
CG A:HIS46 3.1 12.1 1.0
SD A:MET121 3.2 13.0 1.0
CB A:CYS112 3.2 9.5 1.0
CA A:HIS46 3.3 10.0 1.0
CB A:HIS117 3.4 9.1 1.0
CB A:HIS46 3.5 9.6 1.0
CE A:MET121 3.7 9.9 1.0
CB A:PHE114 3.9 9.0 1.0
C A:GLY45 3.9 5.7 1.0
N A:HIS46 4.1 7.0 1.0
NE2 A:HIS117 4.1 11.8 1.0
NE2 A:HIS46 4.1 9.0 1.0
CD2 A:HIS117 4.2 12.5 1.0
CD2 A:HIS46 4.2 8.2 1.0
C A:HIS46 4.4 7.4 1.0
N A:ASN47 4.4 9.7 1.0
CA A:CYS112 4.6 8.5 1.0
CG A:MET121 4.7 9.2 1.0
N A:PHE114 4.7 12.0 1.0
CG A:PHE114 4.8 9.2 1.0
O A:MET44 4.9 13.0 1.0
CA A:PHE114 5.0 9.3 1.0
CA A:HIS117 5.0 13.5 1.0
CB A:MET121 5.0 7.7 1.0

Copper binding site 2 out of 2 in 2fnw

Go back to Copper Binding Sites List in 2fnw
Copper binding site 2 out of 2 in the Pseudomonas Aeruginosa E2Q/H83Q/M109H-Azurin Re(Phen)(Co)3


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Pseudomonas Aeruginosa E2Q/H83Q/M109H-Azurin Re(Phen)(Co)3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu902

b:12.6
occ:1.00
ND1 B:HIS246 2.1 9.1 1.0
ND1 B:HIS317 2.1 11.3 1.0
SG B:CYS312 2.2 10.5 1.0
O B:GLY245 2.9 10.8 1.0
CE1 B:HIS246 3.0 12.5 1.0
CG B:HIS317 3.1 21.1 1.0
CE1 B:HIS317 3.1 10.5 1.0
CG B:HIS246 3.2 10.4 1.0
CB B:CYS312 3.2 8.0 1.0
SD B:MET321 3.3 14.6 1.0
CA B:HIS246 3.4 8.8 1.0
CB B:HIS317 3.4 21.1 1.0
CB B:HIS246 3.6 8.4 1.0
C B:GLY245 3.8 7.3 1.0
CE B:MET321 3.8 12.5 1.0
CB B:PHE314 3.9 15.1 1.0
N B:HIS246 4.0 8.8 1.0
NE2 B:HIS246 4.1 11.6 1.0
NE2 B:HIS317 4.2 9.3 1.0
CD2 B:HIS317 4.2 15.8 1.0
CD2 B:HIS246 4.3 8.1 1.0
N B:ASN247 4.5 8.6 1.0
C B:HIS246 4.6 6.2 1.0
CA B:CYS312 4.6 3.8 1.0
N B:PHE314 4.7 12.3 1.0
CG B:PHE314 4.7 10.1 1.0
CG B:MET321 4.8 6.5 1.0
CA B:HIS317 4.9 13.6 1.0
CA B:PHE314 4.9 7.7 1.0

Reference:

M.Busby, C.Gradinaru, B.R.Crane, A.J.Di Bilio, P.Matousek, M.Towrie, B.S.Leigh, J.H.Richards, A.Vlcek, H.B.Gray. Excited-State Dynamics of Structurally Characterized [Rei(Co)3(Phen)(Hisx)]+ (X = 83, 109) Pseudomonas Aeruginosa Azurins in Aqueous Solution. J.Am.Chem.Soc. V. 128 4365 2006.
ISSN: ISSN 0002-7863
PubMed: 16569013
DOI: 10.1021/JA057451+
Page generated: Sun Dec 13 11:04:36 2020

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