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Rhenium in PDB 1jzi: Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(HIS83)

Protein crystallography data

The structure of Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(HIS83), PDB code: 1jzi was solved by B.R.Crane, A.J.Di Bilio, J.R.Winkler, H.B.Gray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.48 / 1.62
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 93.950, 50.990, 62.440, 90.00, 128.10, 90.00
R / Rfree (%) 22.6 / 24.7

Other elements in 1jzi:

The structure of Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(HIS83) also contains other interesting chemical elements:

Copper (Cu) 3 atoms

Rhenium Binding Sites:

The binding sites of Rhenium atom in the Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(HIS83) (pdb code 1jzi). This binding sites where shown within 5.0 Angstroms radius around Rhenium atom.
In total 2 binding sites of Rhenium where determined in the Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(HIS83), PDB code: 1jzi:
Jump to Rhenium binding site number: 1; 2;

Rhenium binding site 1 out of 2 in 1jzi

Go back to Rhenium Binding Sites List in 1jzi
Rhenium binding site 1 out of 2 in the Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(HIS83)


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 1 of Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(HIS83) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re903

b:11.6
occ:1.00
RE A:REP903 0.0 11.6 1.0
C2 A:REP903 1.9 11.2 1.0
C3 A:REP903 1.9 11.4 1.0
C1 A:REP903 2.0 11.1 1.0
N1 A:REP903 2.2 11.2 1.0
N2 A:REP903 2.2 11.0 1.0
NE2 A:HIS83 2.2 10.9 1.0
C11 A:REP903 3.0 11.0 1.0
C12 A:REP903 3.0 11.0 1.0
O3 A:REP903 3.1 11.8 1.0
O2 A:REP903 3.1 11.4 1.0
CE1 A:HIS83 3.1 10.9 1.0
O1 A:REP903 3.1 11.5 1.0
C7 A:REP903 3.1 11.1 1.0
C16 A:REP903 3.2 10.9 1.0
CD2 A:HIS83 3.3 10.9 1.0
ND1 A:HIS83 4.2 10.7 1.0
CG A:HIS83 4.4 10.6 1.0
C10 A:REP903 4.4 11.1 1.0
C13 A:REP903 4.4 10.9 1.0
C8 A:REP903 4.5 11.1 1.0
C15 A:REP903 4.5 10.9 1.0
O A:HOH1102 4.6 21.9 1.0
O A:HOH1042 4.6 20.1 1.0
O A:HOH1056 4.7 15.3 1.0
C9 A:REP903 4.9 11.2 1.0
C14 A:REP903 5.0 10.9 1.0

Rhenium binding site 2 out of 2 in 1jzi

Go back to Rhenium Binding Sites List in 1jzi
Rhenium binding site 2 out of 2 in the Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(HIS83)


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 2 of Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(HIS83) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Re904

b:14.5
occ:1.00
RE B:REP904 0.0 14.5 1.0
C2 B:REP904 1.9 13.8 1.0
C3 B:REP904 1.9 13.9 1.0
C1 B:REP904 2.0 13.8 1.0
N2 B:REP904 2.2 13.8 1.0
N1 B:REP904 2.2 13.9 1.0
NE2 B:HIS283 2.2 13.2 1.0
C11 B:REP904 3.0 13.9 1.0
C12 B:REP904 3.0 13.8 1.0
O3 B:REP904 3.1 14.3 1.0
O2 B:REP904 3.1 13.8 1.0
CE1 B:HIS283 3.1 13.0 1.0
O1 B:REP904 3.1 14.4 1.0
C16 B:REP904 3.2 13.8 1.0
C7 B:REP904 3.2 14.0 1.0
CD2 B:HIS283 3.2 12.9 1.0
ND1 B:HIS283 4.3 12.7 1.0
CG B:HIS283 4.4 12.5 1.0
C13 B:REP904 4.4 13.8 1.0
C10 B:REP904 4.4 13.9 1.0
C15 B:REP904 4.5 13.8 1.0
C8 B:REP904 4.5 13.8 1.0
O B:HOH1068 4.6 18.1 1.0
O B:HOH1108 4.6 20.0 1.0
O B:HOH1092 4.8 15.5 1.0
C14 B:REP904 4.9 13.8 1.0
C9 B:REP904 5.0 13.9 1.0

Reference:

B.R.Crane, A.J.Di Bilio, J.R.Winkler, H.B.Gray. Electron Tunneling in Single Crystals of Pseudomonas Aeruginosa Azurins. J.Am.Chem.Soc. V. 123 11623 2001.
ISSN: ISSN 0002-7863
PubMed: 11716717
DOI: 10.1021/JA0115870
Page generated: Wed Dec 16 02:07:21 2020

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