Atomistry » Rhenium » PDB 1b0q-7uuz » 1r1c
Atomistry »
  Rhenium »
    PDB 1b0q-7uuz »
      1r1c »

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

Protein crystallography data

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

Other elements in 1r1c:

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

Rhenium Binding Sites:

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 1r1c

Go back to Rhenium Binding Sites List in 1r1c
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 1r1c

Go back to Rhenium Binding Sites List in 1r1c
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 1r1c

Go back to Rhenium Binding Sites List in 1r1c
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 1r1c

Go back to Rhenium Binding Sites List in 1r1c
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 1r1c

Go back to Rhenium Binding Sites List in 1r1c
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 1r1c

Go back to Rhenium Binding Sites List in 1r1c
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 1r1c

Go back to Rhenium Binding Sites List in 1r1c
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

Reference:

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
Page generated: Wed Dec 16 02:07:22 2020

Last articles

Ca in 3EWT
Ca in 3EZ8
Ca in 3EWV
Ca in 3EVR
Ca in 3EVV
Ca in 3EVU
Ca in 3EXM
Ca in 3EY7
Ca in 3ESX
Ca in 3ERC
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy