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

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

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

Copper

(Cu)

2 atoms

The binding sites of Rhenium 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 Rhenium atom.
In total 4 binding sites of Rhenium where determined in the Pseudomonas Aeruginosa E2Q/H83Q/M109H-Azurin Re(Phen)(Co)3, PDB code: 2fnw:
Jump to Rhenium binding site number: 1; 2; 3; 4;

Rhenium binding site 1 out of 4 in the Pseudomonas Aeruginosa E2Q/H83Q/M109H-Azurin Re(Phen)(Co)3


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re 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:Re801 b:15.1 occ:0.73 RE A:REP801 0.0 15.1 0.7 C12 A:REP801 1.2 18.8 0.3 N2 A:REP801 1.2 18.6 0.3 C11 A:REP801 1.4 9.2 0.3 N1 A:REP801 1.7 9.8 0.3 C2 A:REP801 1.9 13.4 0.7 C1 A:REP801 2.0 14.4 0.7 C3 A:REP801 2.0 14.1 0.7 RE A:REP801 2.1 28.1 0.3 NE2 A:HIS109 2.2 11.8 0.7 N1 A:REP801 2.2 33.7 0.7 N2 A:REP801 2.2 13.4 0.7 C16 A:REP801 2.5 19.1 0.3 C13 A:REP801 2.5 24.1 0.3 C1 A:REP801 2.6 24.4 0.3 C10 A:REP801 2.7 16.1 0.3 C7 A:REP801 3.0 20.8 0.3 C11 A:REP801 3.0 8.9 0.7 C12 A:REP801 3.0 8.1 0.7 O3 A:REP801 3.1 25.1 0.7 O1 A:REP801 3.1 20.7 0.7 O2 A:REP801 3.1 32.9 0.7 CE1 A:HIS109 3.2 20.9 0.7 C7 A:REP801 3.2 17.9 0.7 C16 A:REP801 3.2 19.3 0.7 NE2 A:HIS109 3.2 16.7 0.3 CD2 A:HIS109 3.2 8.6 0.7 C14 A:REP801 3.3 26.7 0.3 C15 A:REP801 3.3 22.2 0.3 C18 A:REP801 3.4 24.3 0.3 O1 A:REP801 3.5 47.3 0.3 C17 A:REP801 3.5 16.2 0.3 CE1 A:HIS109 3.6 21.1 0.3 C2 A:REP801 3.6 32.8 0.3 C9 A:REP801 3.7 22.6 0.3 O A:HOH1148 3.8 16.7 1.0 C8 A:REP801 3.8 22.6 0.3 C3 A:REP801 3.8 14.0 0.3 CD2 A:HIS109 4.1 11.3 0.3 ND1 A:HIS109 4.3 19.7 0.7 O A:HOH1042 4.3 30.2 1.0 C13 A:REP801 4.4 16.0 0.7 C10 A:REP801 4.4 14.8 0.7 CG A:HIS109 4.4 8.1 0.7 C8 A:REP801 4.5 12.3 0.7 C15 A:REP801 4.5 10.5 0.7 ND1 A:HIS109 4.5 16.6 0.3 O2 A:REP801 4.7 43.4 0.3 CG A:HIS109 4.7 16.7 0.3 O3 A:REP801 4.9 22.8 0.3 C14 A:REP801 4.9 11.7 0.7 C9 A:REP801 4.9 19.3 0.7

Rhenium binding site 2 out of 4 in the Pseudomonas Aeruginosa E2Q/H83Q/M109H-Azurin Re(Phen)(Co)3


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re 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 A:Re801 b:28.1 occ:0.27 RE A:REP801 0.0 28.1 0.3 N1 A:REP801 0.9 33.7 0.7 C7 A:REP801 1.7 17.9 0.7 C11 A:REP801 1.8 8.9 0.7 C1 A:REP801 1.9 24.4 0.3 C2 A:REP801 1.9 32.8 0.3 C3 A:REP801 2.0 14.0 0.3 RE A:REP801 2.1 15.1 0.7 NE2 A:HIS109 2.2 16.7 0.3 NE2 A:HIS109 2.2 11.8 0.7 N1 A:REP801 2.2 9.8 0.3 N2 A:REP801 2.2 18.6 0.3 CE1 A:HIS109 2.5 20.9 0.7 C12 A:REP801 2.7 8.1 0.7 C8 A:REP801 2.8 12.3 0.7 N2 A:REP801 2.8 13.4 0.7 C10 A:REP801 2.8 14.8 0.7 C3 A:REP801 2.9 14.1 0.7 O A:HOH1148 2.9 16.7 1.0 C11 A:REP801 3.0 9.2 0.3 C12 A:REP801 3.0 18.8 0.3 O3 A:REP801 3.1 22.8 0.3 O1 A:REP801 3.1 47.3 0.3 O2 A:REP801 3.1 43.4 0.3 CE1 A:HIS109 3.2 21.1 0.3 C7 A:REP801 3.2 20.8 0.3 C16 A:REP801 3.2 19.1 0.3 C9 A:REP801 3.2 19.3 0.7 CD2 A:HIS109 3.2 8.6 0.7 CD2 A:HIS109 3.2 11.3 0.3 C1 A:REP801 3.5 14.4 0.7 ND1 A:HIS109 3.6 19.7 0.7 O3 A:REP801 3.8 25.1 0.7 CB A:ALA53 3.9 21.7 1.0 C2 A:REP801 3.9 13.4 0.7 C13 A:REP801 3.9 16.0 0.7 CG A:HIS109 4.0 8.1 0.7 C17 A:REP801 4.0 18.6 0.7 C16 A:REP801 4.1 19.3 0.7 ND1 A:HIS109 4.2 16.6 0.3 CG A:HIS109 4.2 16.7 0.3 C13 A:REP801 4.4 24.1 0.3 C10 A:REP801 4.4 16.1 0.3 C8 A:REP801 4.5 22.6 0.3 C18 A:REP801 4.5 25.1 0.7 C15 A:REP801 4.5 22.2 0.3 O1 A:REP801 4.5 20.7 0.7 C9 A:REP801 4.9 22.6 0.3 C14 A:REP801 4.9 26.7 0.3 C14 A:REP801 5.0 11.7 0.7

Rhenium binding site 3 out of 4 in the Pseudomonas Aeruginosa E2Q/H83Q/M109H-Azurin Re(Phen)(Co)3


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 3 of Pseudomonas Aeruginosa E2Q/H83Q/M109H-Azurin Re(Phen)(Co)3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Re802 b:21.4 occ:0.70 RE B:REP802 0.0 21.4 0.7 N2 B:REP802 1.1 28.5 0.3 C16 B:REP802 1.8 19.6 0.3 C12 B:REP802 1.8 24.0 0.3 C2 B:REP802 1.9 18.0 0.7 C1 B:REP802 2.0 18.2 0.7 C3 B:REP802 2.0 38.9 0.7 NE2 B:HIS309 2.1 12.5 0.3 NE2 B:HIS309 2.2 14.2 0.7 N1 B:REP802 2.2 20.2 0.7 N2 B:REP802 2.2 22.4 0.7 RE B:REP802 2.2 10.8 0.3 CE1 B:HIS309 2.4 12.3 0.3 C11 B:REP802 2.6 20.6 0.3 C15 B:REP802 2.6 23.1 0.3 C13 B:REP802 2.8 21.6 0.3 N1 B:REP802 2.8 15.9 0.3 C2 B:REP802 2.9 30.5 0.3 C11 B:REP802 3.0 15.5 0.7 C12 B:REP802 3.0 14.7 0.7 C14 B:REP802 3.0 27.6 0.3 O3 B:REP802 3.1 36.6 0.7 O1 B:REP802 3.1 21.1 0.7 O2 B:REP802 3.1 36.7 0.7 CE1 B:HIS309 3.2 22.0 0.7 C7 B:REP802 3.2 6.8 0.7 C16 B:REP802 3.2 13.5 0.7 CD2 B:HIS309 3.2 17.7 0.7 CD2 B:HIS309 3.3 19.6 0.3 ND1 B:HIS309 3.5 12.3 0.3 C1 B:REP802 3.6 4.5 0.3 O2 B:REP802 3.8 24.0 0.3 C10 B:REP802 3.9 18.9 0.3 C18 B:REP802 4.0 24.2 0.3 CG B:HIS309 4.0 16.9 0.3 C3 B:REP802 4.0 7.7 0.3 C7 B:REP802 4.1 17.0 0.3 ND1 B:HIS309 4.3 22.7 0.7 CG B:HIS309 4.3 15.3 0.7 C13 B:REP802 4.4 17.9 0.7 C10 B:REP802 4.4 11.1 0.7 C17 B:REP802 4.4 13.2 0.3 C8 B:REP802 4.5 11.6 0.7 C15 B:REP802 4.5 17.0 0.7 NZ B:LYS322 4.6 51.0 1.0 O1 B:REP802 4.6 17.5 0.3 O B:HOH1032 4.6 33.1 1.0 C14 B:REP802 4.9 20.6 0.7 C9 B:REP802 4.9 15.2 0.7 C9 B:REP802 5.0 11.0 0.3

Rhenium binding site 4 out of 4 in the Pseudomonas Aeruginosa E2Q/H83Q/M109H-Azurin Re(Phen)(Co)3


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 4 of Pseudomonas Aeruginosa E2Q/H83Q/M109H-Azurin Re(Phen)(Co)3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Re802 b:10.8 occ:0.30 RE B:REP802 0.0 10.8 0.3 N1 B:REP802 1.0 20.2 0.7 C7 B:REP802 1.1 6.8 0.7 C1 B:REP802 1.9 4.5 0.3 C2 B:REP802 2.0 30.5 0.3 C3 B:REP802 2.0 7.7 0.3 NE2 B:HIS309 2.2 12.5 0.3 N1 B:REP802 2.2 15.9 0.3 N2 B:REP802 2.2 28.5 0.3 RE B:REP802 2.2 21.4 0.7 C11 B:REP802 2.3 15.5 0.7 C8 B:REP802 2.4 11.6 0.7 C3 B:REP802 2.5 38.9 0.7 NE2 B:HIS309 2.7 14.2 0.7 CE1 B:HIS309 2.8 22.0 0.7 C11 B:REP802 3.0 20.6 0.3 C12 B:REP802 3.0 24.0 0.3 O3 B:REP802 3.1 21.9 0.3 O1 B:REP802 3.1 17.5 0.3 O2 B:REP802 3.1 24.0 0.3 CE1 B:HIS309 3.2 12.3 0.3 C7 B:REP802 3.2 17.0 0.3 C16 B:REP802 3.2 19.6 0.3 C10 B:REP802 3.2 11.1 0.7 C9 B:REP802 3.2 15.2 0.7 O3 B:REP802 3.2 36.6 0.7 C1 B:REP802 3.2 18.2 0.7 CD2 B:HIS309 3.2 19.6 0.3 C12 B:REP802 3.3 14.7 0.7 N2 B:REP802 3.4 22.4 0.7 ND1 B:HIS309 4.1 22.7 0.7 C2 B:REP802 4.1 18.0 0.7 CD2 B:HIS309 4.1 17.7 0.7 O1 B:REP802 4.2 21.1 0.7 ND1 B:HIS309 4.3 12.3 0.3 C13 B:REP802 4.4 21.6 0.3 C10 B:REP802 4.4 18.9 0.3 CG B:HIS309 4.4 16.9 0.3 C15 B:REP802 4.5 23.1 0.3 C8 B:REP802 4.5 8.7 0.3 CB B:ALA253 4.5 53.4 1.0 C17 B:REP802 4.5 11.6 0.7 C13 B:REP802 4.6 17.9 0.7 C16 B:REP802 4.7 13.5 0.7 CG B:HIS309 4.7 15.3 0.7 C14 B:REP802 4.9 27.6 0.3 C9 B:REP802 4.9 11.0 0.3

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+