Rhenium in PDB 1r1c: Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107)

The structure of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107), PDB code: 1r1c was solved by J.E.Miller, C.Gradinaru, B.R.Crane, A.J.Di Bilio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.947, 56.933, 77.296, 90.00, 98.37, 90.00
R / Rfree (%)	22.4 / 26

The structure of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) also contains other interesting chemical elements:

Copper

(Cu)

4 atoms

The binding sites of Rhenium atom in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) (pdb code 1r1c). This binding sites where shown within 5.0 Angstroms radius around Rhenium atom.
In total 7 binding sites of Rhenium where determined in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107), PDB code: 1r1c:
Jump to Rhenium binding site number: 1; 2; 3; 4; 5; 6; 7;

Rhenium binding site 1 out of 7 in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107)


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 1 of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) within 5.0Å range: probe atom residue distance (Å) B Occ A:Re801 b:41.1 occ:1.00 RE A:REP801 0.0 41.1 1.0 C2 A:REP801 1.9 58.1 1.0 C1 A:REP801 2.0 41.8 1.0 C3 A:REP801 2.0 25.2 1.0 N1 A:REP801 2.2 41.2 1.0 N2 A:REP801 2.2 28.9 1.0 NE2 A:HIS107 2.2 44.6 1.0 C11 A:REP801 3.0 38.7 1.0 C12 A:REP801 3.0 36.5 1.0 CD2 A:HIS107 3.1 33.8 1.0 O1 A:REP801 3.1 72.2 1.0 O3 A:REP801 3.1 62.9 1.0 O2 A:REP801 3.1 64.7 1.0 C7 A:REP801 3.2 60.8 1.0 C16 A:REP801 3.2 45.1 1.0 CE1 A:HIS107 3.3 41.0 1.0 CG A:HIS107 4.3 37.8 1.0 ND1 A:HIS107 4.4 44.6 1.0 C10 A:REP801 4.4 51.9 1.0 C13 A:REP801 4.4 50.2 1.0 C8 A:REP801 4.5 68.2 1.0 C15 A:REP801 4.5 47.5 1.0 O A:HOH1132 4.6 34.9 1.0 CB B:ALA53 4.9 34.7 1.0 C9 A:REP801 4.9 68.3 1.0 C14 A:REP801 4.9 43.8 1.0

Rhenium binding site 2 out of 7 in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107)


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 2 of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) within 5.0Å range: probe atom residue distance (Å) B Occ B:Re802 b:43.3 occ:0.32 RE B:REP802 0.0 43.3 0.3 CE1 B:HIS107 1.7 32.7 0.7 C3 B:REP802 1.9 40.0 0.7 C1 B:REP802 2.0 39.7 0.3 C2 B:REP802 2.0 75.8 0.3 C3 B:REP802 2.0 11.0 0.3 O3 B:REP802 2.1 37.2 0.7 N1 B:REP802 2.2 47.5 0.3 N2 B:REP802 2.2 42.4 0.3 NE2 B:HIS107 2.2 31.0 0.3 NE2 B:HIS107 2.3 22.2 0.7 ND1 B:HIS107 2.9 29.7 0.7 CD2 B:HIS107 2.9 32.5 0.3 RE B:REP802 3.0 40.7 0.7 C11 B:REP802 3.0 42.9 0.3 C12 B:REP802 3.0 43.5 0.3 O2 B:REP802 3.1 67.1 0.3 O1 B:REP802 3.1 45.1 0.3 O3 B:REP802 3.1 37.4 0.3 CE1 B:HIS107 3.1 41.8 0.3 C7 B:REP802 3.2 52.4 0.3 C16 B:REP802 3.2 41.3 0.3 C7 B:REP802 3.5 43.6 0.7 CD2 B:HIS107 3.6 34.7 0.7 N1 B:REP802 3.6 42.7 0.7 C2 B:REP802 3.8 41.2 0.7 CG B:HIS107 3.9 37.4 0.7 CG B:HIS107 4.0 36.5 0.3 ND1 B:HIS107 4.0 41.5 0.3 C1 B:REP802 4.4 46.7 0.7 C13 B:REP802 4.4 44.9 0.3 C10 B:REP802 4.4 46.0 0.3 C15 B:REP802 4.5 42.1 0.3 C8 B:REP802 4.5 51.7 0.3 O2 B:REP802 4.6 47.4 0.7 C8 B:REP802 4.8 47.3 0.7 C11 B:REP802 4.9 46.2 0.7 N2 B:REP802 4.9 42.2 0.7 C14 B:REP802 4.9 42.7 0.3 C9 B:REP802 4.9 47.9 0.3

Rhenium binding site 3 out of 7 in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107)


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 3 of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) within 5.0Å range: probe atom residue distance (Å) B Occ B:Re802 b:40.7 occ:0.68 RE B:REP802 0.0 40.7 0.7 N2 B:REP802 0.8 42.4 0.3 C16 B:REP802 1.0 41.3 0.3 C12 B:REP802 1.3 43.5 0.3 C15 B:REP802 1.7 42.1 0.3 C13 B:REP802 1.9 44.9 0.3 C2 B:REP802 2.0 41.2 0.7 C1 B:REP802 2.0 46.7 0.7 C3 B:REP802 2.0 40.0 0.7 C14 B:REP802 2.0 42.7 0.3 N1 B:REP802 2.2 42.7 0.7 N2 B:REP802 2.2 42.2 0.7 NE2 B:HIS107 2.2 22.2 0.7 NE2 B:HIS107 2.6 31.0 0.3 C11 B:REP802 2.7 42.9 0.3 RE B:REP802 3.0 43.3 0.3 C11 B:REP802 3.0 46.2 0.7 C12 B:REP802 3.0 47.6 0.7 O1 B:REP802 3.1 56.8 0.7 O2 B:REP802 3.1 47.4 0.7 O3 B:REP802 3.1 37.2 0.7 C7 B:REP802 3.2 43.6 0.7 C16 B:REP802 3.2 35.6 0.7 CE1 B:HIS107 3.2 32.7 0.7 CD2 B:HIS107 3.3 34.7 0.7 N1 B:REP802 3.3 47.5 0.3 C18 B:REP802 3.3 47.9 0.3 CD2 B:HIS107 3.4 32.5 0.3 CE1 B:HIS107 3.6 41.8 0.3 C1 B:REP802 3.6 39.7 0.3 C2 B:REP802 3.7 75.8 0.3 C10 B:REP802 3.8 46.0 0.3 C17 B:REP802 4.0 47.5 0.3 ND1 B:HIS107 4.3 29.7 0.7 C13 B:REP802 4.4 45.5 0.7 C10 B:REP802 4.4 49.1 0.7 CG B:HIS107 4.4 37.4 0.7 O1 B:REP802 4.4 45.1 0.3 C15 B:REP802 4.5 23.7 0.7 C8 B:REP802 4.5 47.3 0.7 CG B:HIS107 4.5 36.5 0.3 O2 B:REP802 4.5 67.1 0.3 ND1 B:HIS107 4.6 41.5 0.3 C7 B:REP802 4.6 52.4 0.3 O B:HOH1179 4.6 55.4 1.0 C14 B:REP802 4.9 28.2 0.7 C3 B:REP802 4.9 11.0 0.3 CB A:ALA53 4.9 24.6 1.0 C9 B:REP802 4.9 46.0 0.7

Rhenium binding site 4 out of 7 in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107)


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 4 of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) within 5.0Å range: probe atom residue distance (Å) B Occ C:Re803 b:60.4 occ:0.23 RE C:REP803 0.0 60.4 0.2 C1 C:REP803 1.9 0.9 0.2 C2 C:REP803 2.0 54.4 0.2 C3 C:REP803 2.0 73.8 0.2 C7 C:REP803 2.0 38.7 0.8 N1 C:REP803 2.2 3.7 0.2 N2 C:REP803 2.2 28.6 0.2 NE2 C:HIS107 2.2 10.4 0.2 C8 C:REP803 2.7 35.3 0.8 CE1 C:HIS107 2.9 21.1 0.2 C11 C:REP803 3.0 20.5 0.2 C12 C:REP803 3.0 29.6 0.2 N1 C:REP803 3.0 38.0 0.8 O3 C:REP803 3.1 70.8 0.2 O2 C:REP803 3.1 44.6 0.2 O1 C:REP803 3.1 0.9 0.2 C7 C:REP803 3.2 18.0 0.2 C16 C:REP803 3.2 20.6 0.2 C3 C:REP803 3.3 41.4 0.8 O3 C:REP803 3.3 29.9 0.8 CD2 C:HIS107 3.5 10.1 0.2 C9 C:REP803 4.0 41.4 0.8 RE C:REP803 4.1 42.9 0.8 ND1 C:HIS107 4.1 24.4 0.2 C11 C:REP803 4.2 30.8 0.8 C1 C:REP803 4.3 33.0 0.8 C13 C:REP803 4.4 26.5 0.2 C10 C:REP803 4.4 25.2 0.2 CG C:HIS107 4.5 29.5 0.2 C8 C:REP803 4.5 24.7 0.2 C15 C:REP803 4.5 20.0 0.2 C10 C:REP803 4.6 41.0 0.8 CD2 C:HIS107 4.7 25.7 0.8 O1 C:REP803 4.8 52.4 0.8 C9 C:REP803 4.9 26.4 0.2 C14 C:REP803 4.9 7.3 0.2

Rhenium binding site 5 out of 7 in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107)


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 5 of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) within 5.0Å range: probe atom residue distance (Å) B Occ C:Re803 b:42.9 occ:0.77 RE C:REP803 0.0 42.9 0.8 C1 C:REP803 1.9 33.0 0.8 C2 C:REP803 1.9 56.5 0.8 C3 C:REP803 2.0 41.4 0.8 N2 C:REP803 2.2 8.5 0.8 N1 C:REP803 2.2 38.0 0.8 NE2 C:HIS107 2.2 31.0 0.8 O2 C:REP803 2.4 44.6 0.2 CE1 C:HIS107 2.6 21.1 0.2 C2 C:REP803 2.7 54.4 0.2 CD2 C:HIS107 3.0 25.7 0.8 C11 C:REP803 3.0 30.8 0.8 C12 C:REP803 3.0 23.8 0.8 O3 C:REP803 3.1 29.9 0.8 O1 C:REP803 3.1 52.4 0.8 O2 C:REP803 3.1 76.4 0.8 C7 C:REP803 3.2 38.7 0.8 C16 C:REP803 3.2 17.8 0.8 ND1 C:HIS107 3.3 24.4 0.2 CE1 C:HIS107 3.3 31.9 0.8 NE2 C:HIS107 3.8 10.4 0.2 C16 C:REP803 4.0 20.6 0.2 RE C:REP803 4.1 60.4 0.2 CG C:HIS107 4.2 31.5 0.8 N2 C:REP803 4.3 28.6 0.2 ND1 C:HIS107 4.3 34.3 0.8 C13 C:REP803 4.4 41.8 0.8 C10 C:REP803 4.4 41.0 0.8 C8 C:REP803 4.5 35.3 0.8 O C:HOH1120 4.5 33.1 1.0 C15 C:REP803 4.5 35.1 0.8 CG C:HIS107 4.6 29.5 0.2 CD2 C:HIS107 4.8 10.1 0.2 O C:HOH1300 4.8 33.0 1.0 O C:HOH1239 4.8 40.7 1.0 C3 C:REP803 4.9 73.8 0.2 C9 C:REP803 4.9 41.4 0.8 C14 C:REP803 4.9 36.9 0.8

Rhenium binding site 6 out of 7 in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107)


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 6 of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) within 5.0Å range: probe atom residue distance (Å) B Occ D:Re804 b:83.5 occ:0.09 RE D:REP804 0.0 83.5 0.1 C2 D:REP804 1.9 44.1 0.1 C1 D:REP804 2.0 39.8 0.1 C3 D:REP804 2.0 93.9 0.1 N1 D:REP804 2.2 42.0 0.1 N2 D:REP804 2.2 33.5 0.1 NE2 D:HIS107 2.2 29.8 0.1 CE1 D:HIS107 2.5 29.9 0.9 C3 D:REP804 2.7 33.1 0.9 O3 D:REP804 2.7 33.4 0.9 C7 D:REP804 2.7 32.7 0.9 CE1 D:HIS107 2.9 29.0 0.1 C11 D:REP804 3.0 37.1 0.1 C12 D:REP804 3.0 35.2 0.1 O3 D:REP804 3.1 95.0 0.1 O2 D:REP804 3.1 49.9 0.1 O1 D:REP804 3.1 37.4 0.1 C7 D:REP804 3.2 42.9 0.1 C16 D:REP804 3.2 33.9 0.1 N1 D:REP804 3.3 37.2 0.9 NE2 D:HIS107 3.3 27.6 0.9 CD2 D:HIS107 3.5 29.4 0.1 ND1 D:HIS107 3.5 29.0 0.9 RE D:REP804 3.6 32.9 0.9 C8 D:REP804 3.7 36.3 0.9 ND1 D:HIS107 4.1 28.6 0.1 O D:HOH1168 4.2 33.3 1.0 C13 D:REP804 4.4 35.8 0.1 C10 D:REP804 4.4 36.2 0.1 O D:HOH1253 4.4 40.0 1.0 CG D:HIS107 4.5 29.2 0.1 C8 D:REP804 4.5 42.2 0.1 C15 D:REP804 4.5 32.4 0.1 C11 D:REP804 4.5 38.6 0.9 CD2 D:HIS107 4.5 28.4 0.9 CG D:HIS107 4.6 29.7 0.9 O D:GLY105 4.6 48.7 1.0 C1 D:REP804 4.8 30.6 0.9 C9 D:REP804 4.8 35.4 0.9 C2 D:REP804 4.9 26.1 0.9 C14 D:REP804 4.9 35.8 0.1 C9 D:REP804 4.9 40.3 0.1

Rhenium binding site 7 out of 7 in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107)


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 7 of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) within 5.0Å range: probe atom residue distance (Å) B Occ D:Re804 b:32.9 occ:0.91 RE D:REP804 0.0 32.9 0.9 C16 D:REP804 1.9 33.9 0.1 C2 D:REP804 1.9 26.1 0.9 C1 D:REP804 2.0 30.6 0.9 C3 D:REP804 2.0 33.1 0.9 N1 D:REP804 2.2 37.2 0.9 N2 D:REP804 2.2 29.9 0.9 NE2 D:HIS107 2.2 27.6 0.9 C15 D:REP804 2.3 32.4 0.1 CE1 D:HIS107 2.3 29.0 0.1 N2 D:REP804 2.4 33.5 0.1 C11 D:REP804 3.0 38.6 0.9 C12 D:REP804 3.0 36.3 0.9 CE1 D:HIS107 3.1 29.9 0.9 O3 D:REP804 3.1 33.4 0.9 O1 D:REP804 3.1 31.2 0.9 O2 D:REP804 3.1 33.8 0.9 C14 D:REP804 3.1 35.8 0.1 C12 D:REP804 3.1 35.2 0.1 ND1 D:HIS107 3.1 28.6 0.1 C7 D:REP804 3.2 32.7 0.9 CD2 D:HIS107 3.2 28.4 0.9 C16 D:REP804 3.2 30.1 0.9 NE2 D:HIS107 3.4 29.8 0.1 C2 D:REP804 3.5 44.1 0.1 C13 D:REP804 3.5 35.8 0.1 RE D:REP804 3.6 83.5 0.1 O2 D:REP804 3.9 49.9 0.1 C11 D:REP804 4.2 37.1 0.1 ND1 D:HIS107 4.2 29.0 0.9 CG D:HIS107 4.3 29.7 0.9 C13 D:REP804 4.4 35.9 0.9 C10 D:REP804 4.4 30.9 0.9 CG D:HIS107 4.4 29.2 0.1 C8 D:REP804 4.5 36.3 0.9 C15 D:REP804 4.5 39.2 0.9 CD2 D:HIS107 4.5 29.4 0.1 N1 D:REP804 4.5 42.0 0.1 O D:HOH1078 4.5 43.4 1.0 O D:HOH1253 4.6 40.0 1.0 O D:HOH1012 4.7 38.8 1.0 C18 D:REP804 4.8 34.3 0.1 C1 D:REP804 4.9 39.8 0.1 C14 D:REP804 4.9 38.7 0.9 C9 D:REP804 4.9 35.4 0.9

J.E.Miller, C.Gradinaru, B.R.Crane, A.J.Di Bilio, W.A.Wehbi, S.Un, J.R.Winkler, H.B.Gray. Spectroscopy and Reactivity of A Photogenerated Tryptophan Radical in A Structurally Defined Protein Environment J.Am.Chem.Soc. V. 125 14220 2003.
ISSN: ISSN 0002-7863
PubMed: 14624538
DOI: 10.1021/JA037203I