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Rhenium in PDB 2i7s: Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa

Protein crystallography data

The structure of Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa, PDB code: 2i7s 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 / 1.35
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 33.135, 58.980, 66.107, 82.92, 78.11, 76.68
R / Rfree (%) n/a / 23.9

Other elements in 2i7s:

The structure of Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa also contains other interesting chemical elements:

Cobalt (Co) 1 atom
Copper (Cu) 4 atoms

Rhenium Binding Sites:

The binding sites of Rhenium atom in the Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa (pdb code 2i7s). This binding sites where shown within 5.0 Angstroms radius around Rhenium atom.
In total 4 binding sites of Rhenium where determined in the Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa, PDB code: 2i7s:
Jump to Rhenium binding site number: 1; 2; 3; 4;

Rhenium binding site 1 out of 4 in 2i7s

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Rhenium binding site 1 out of 4 in the Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 1 of Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re801

b:22.4
occ:1.00
RE A:REP801 0.0 22.4 1.0
C2 A:REP801 1.9 22.5 1.0
C1 A:REP801 2.0 28.5 1.0
C3 A:REP801 2.0 31.1 1.0
N2 A:REP801 2.2 38.3 1.0
N1 A:REP801 2.2 28.8 1.0
NE2 A:HIS124 2.2 21.2 1.0
C11 A:REP801 3.0 32.5 1.0
C12 A:REP801 3.0 34.4 1.0
O1 A:REP801 3.1 27.8 1.0
O2 A:REP801 3.1 42.5 1.0
O3 A:REP801 3.1 44.9 1.0
CE1 A:HIS124 3.2 26.0 1.0
C7 A:REP801 3.2 21.2 1.0
C16 A:REP801 3.2 36.2 1.0
CD2 A:HIS124 3.2 20.8 1.0
ND1 A:HIS124 4.3 20.2 1.0
CG A:HIS124 4.3 18.3 1.0
C13 A:REP801 4.4 37.3 1.0
C10 A:REP801 4.4 34.7 1.0
C8 A:REP801 4.5 31.3 1.0
C15 A:REP801 4.5 38.4 1.0
CE A:MET109 4.6 16.3 0.6
O A:HOH1413 4.7 50.0 1.0
O B:HOH1373 4.8 46.7 1.0
SD A:MET109 4.8 23.4 0.4
CE A:MET109 4.9 12.9 0.4
C9 A:REP801 4.9 34.1 1.0
C14 A:REP801 4.9 36.3 1.0

Rhenium binding site 2 out of 4 in 2i7s

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Rhenium binding site 2 out of 4 in the Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 2 of Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Re802

b:25.5
occ:1.00
RE B:REP802 0.0 25.5 1.0
C1 B:REP802 1.9 76.8 1.0
C2 B:REP802 2.0 0.9 1.0
C3 B:REP802 2.0 51.6 1.0
N1 B:REP802 2.2 24.7 1.0
N2 B:REP802 2.2 36.7 1.0
NE2 B:HIS324 2.2 23.8 1.0
C11 B:REP802 3.0 31.8 1.0
C12 B:REP802 3.0 34.1 1.0
O1 B:REP802 3.1 67.2 1.0
O2 B:REP802 3.1 0.9 1.0
CE1 B:HIS324 3.1 15.7 1.0
O3 B:REP802 3.1 46.9 1.0
C7 B:REP802 3.2 24.4 1.0
C16 B:REP802 3.2 41.5 1.0
CD2 B:HIS324 3.3 20.7 1.0
ND1 B:HIS324 4.3 18.5 1.0
O B:HOH1164 4.3 31.0 1.0
C13 B:REP802 4.4 39.7 1.0
CG B:HIS324 4.4 14.0 1.0
C10 B:REP802 4.4 30.1 1.0
C8 B:REP802 4.5 31.7 1.0
C15 B:REP802 4.5 39.7 1.0
O B:HOH1378 4.6 52.4 1.0
O B:HOH1239 4.7 37.0 1.0
CE B:MET309 4.8 14.3 0.5
C14 B:REP802 4.9 38.8 1.0
C9 B:REP802 4.9 30.7 1.0

Rhenium binding site 3 out of 4 in 2i7s

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Rhenium binding site 3 out of 4 in the Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 3 of Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Re803

b:28.2
occ:1.00
RE C:REP803 0.0 28.2 1.0
C1 C:REP803 1.9 72.0 1.0
C2 C:REP803 1.9 90.6 1.0
C3 C:REP803 2.0 66.0 1.0
N2 C:REP803 2.2 29.8 1.0
N1 C:REP803 2.2 34.1 1.0
NE2 C:HIS524 2.2 20.7 1.0
C11 C:REP803 3.0 28.1 1.0
C12 C:REP803 3.0 24.8 1.0
CE1 C:HIS524 3.0 20.3 1.0
O1 C:REP803 3.1 64.7 1.0
O2 C:REP803 3.1 88.7 1.0
O3 C:REP803 3.1 57.0 1.0
C7 C:REP803 3.2 37.4 1.0
C16 C:REP803 3.2 40.1 1.0
CD2 C:HIS524 3.2 20.4 1.0
ND1 C:HIS524 4.2 25.3 1.0
CG C:HIS524 4.3 19.7 1.0
C13 C:REP803 4.4 34.9 1.0
C10 C:REP803 4.4 30.5 1.0
O C:HOH1223 4.4 44.4 1.0
C8 C:REP803 4.5 42.0 1.0
C15 C:REP803 4.5 41.9 1.0
C14 C:REP803 4.9 43.2 1.0
C9 C:REP803 4.9 37.5 1.0

Rhenium binding site 4 out of 4 in 2i7s

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Rhenium binding site 4 out of 4 in the Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 4 of Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Re804

b:27.1
occ:1.00
RE D:REP804 0.0 27.1 1.0
C3 D:REP804 2.0 49.9 1.0
C2 D:REP804 2.0 44.1 1.0
C1 D:REP804 2.0 38.9 1.0
N1 D:REP804 2.2 24.4 1.0
N2 D:REP804 2.2 33.1 1.0
NE2 D:HIS724 2.2 20.2 1.0
C11 D:REP804 3.0 26.4 1.0
C12 D:REP804 3.0 29.4 1.0
CE1 D:HIS724 3.1 16.8 1.0
O2 D:REP804 3.1 45.9 1.0
O1 D:REP804 3.1 53.0 1.0
O3 D:REP804 3.1 47.0 1.0
C7 D:REP804 3.2 27.6 1.0
C16 D:REP804 3.2 42.1 1.0
CD2 D:HIS724 3.3 21.5 1.0
ND1 D:HIS724 4.3 26.6 1.0
C13 D:REP804 4.4 36.2 1.0
C10 D:REP804 4.4 28.8 1.0
CG D:HIS724 4.4 20.8 1.0
C8 D:REP804 4.5 31.4 1.0
C15 D:REP804 4.5 42.9 1.0
O D:HOH1400 4.7 50.0 1.0
CE D:MET709 4.9 16.3 0.5
C9 D:REP804 4.9 31.3 1.0
C14 D:REP804 4.9 40.7 1.0

Reference:

A.M.Blanco-Rodriguez, M.Busby, K.Ronayne, M.Towrie, C.Gradinaru, J.Sudhamsu, J.Sykora, M.Hof, S.Zalis, A.J.Di Bilio, B.R.Crane, H.B.Gray, A.Vlcek. Relaxation Dynamics of Pseudomonas Aeruginosa Re(I)(Co)3(Alpha-Diimine)(Hisx)+ (X = 83, 107, 109, 124, 126)Cu(II) Azurins. J.Am.Chem.Soc. V. 131 11788 2009.
ISSN: ISSN 0002-7863
PubMed: 19639996
DOI: 10.1021/JA902744S
Page generated: Wed Dec 16 02:07:22 2020

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