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Rhenium in PDB 6mjt: Azurin 122F/124W/126RE

Protein crystallography data

The structure of Azurin 122F/124W/126RE, PDB code: 6mjt was solved by K.Takematsu, S.Zalis, H.B.Gray, A.Vlcek, J.R.Winkler, H.Williamson, J.T.Kaiser, J.Heyda, D.Hollas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.99 / 1.89
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 97.910, 33.970, 77.260, 90.00, 98.55, 90.00
R / Rfree (%) 22.1 / 24.5

Other elements in 6mjt:

The structure of Azurin 122F/124W/126RE also contains other interesting chemical elements:

Copper (Cu) 2 atoms

Rhenium Binding Sites:

The binding sites of Rhenium atom in the Azurin 122F/124W/126RE (pdb code 6mjt). This binding sites where shown within 5.0 Angstroms radius around Rhenium atom.
In total 2 binding sites of Rhenium where determined in the Azurin 122F/124W/126RE, PDB code: 6mjt:
Jump to Rhenium binding site number: 1; 2;

Rhenium binding site 1 out of 2 in 6mjt

Go back to Rhenium Binding Sites List in 6mjt
Rhenium binding site 1 out of 2 in the Azurin 122F/124W/126RE


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 1 of Azurin 122F/124W/126RE within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re202

b:35.0
occ:1.00
RE A:REQ202 0.0 35.0 1.0
C1 A:REQ202 1.9 35.2 1.0
C2 A:REQ202 1.9 33.3 1.0
C3 A:REQ202 1.9 35.9 1.0
N2 A:REQ202 2.1 11.0 1.0
N1 A:REQ202 2.2 27.6 1.0
NE2 A:HIS126 2.3 26.8 1.0
C12 A:REQ202 2.9 20.2 1.0
C11 A:REQ202 3.0 22.7 1.0
O1 A:REQ202 3.0 35.3 1.0
O2 A:REQ202 3.0 30.4 1.0
O3 A:REQ202 3.0 34.5 1.0
C16 A:REQ202 3.1 16.9 1.0
C7 A:REQ202 3.1 28.8 1.0
CE1 A:HIS126 3.2 25.4 1.0
CD2 A:HIS126 3.2 25.7 1.0
HB3 A:ALA19 4.0 36.0 1.0
HG23 A:THR21 4.0 37.9 1.0
HG21 A:THR21 4.0 37.9 1.0
C13 A:REQ202 4.3 20.6 1.0
C10 A:REQ202 4.3 28.3 1.0
ND1 A:HIS126 4.3 23.4 1.0
CG2 A:THR21 4.4 31.6 1.0
HG22 A:THR21 4.4 37.9 1.0
CG A:HIS126 4.4 23.6 1.0
C15 A:REQ202 4.4 19.4 1.0
C8 A:REQ202 4.4 28.3 1.0
CB A:ALA19 4.9 30.0 1.0
C14 A:REQ202 4.9 21.6 1.0
C9 A:REQ202 4.9 28.5 1.0

Rhenium binding site 2 out of 2 in 6mjt

Go back to Rhenium Binding Sites List in 6mjt
Rhenium binding site 2 out of 2 in the Azurin 122F/124W/126RE


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 2 of Azurin 122F/124W/126RE within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Re202

b:33.9
occ:1.00
RE B:REQ202 0.0 33.9 1.0
C2 B:REQ202 1.9 12.4 1.0
C3 B:REQ202 1.9 35.1 1.0
C1 B:REQ202 1.9 37.6 1.0
N2 B:REQ202 2.2 23.8 1.0
N1 B:REQ202 2.2 26.6 1.0
NE2 B:HIS126 2.3 21.0 1.0
C12 B:REQ202 3.0 24.0 1.0
C11 B:REQ202 3.0 27.5 1.0
O3 B:REQ202 3.0 30.8 1.0
O1 B:REQ202 3.0 35.5 1.0
O2 B:REQ202 3.0 22.8 1.0
C16 B:REQ202 3.1 16.6 1.0
CE1 B:HIS126 3.1 20.6 1.0
C7 B:REQ202 3.2 30.7 1.0
CD2 B:HIS126 3.4 20.8 1.0
HG23 B:THR21 4.1 23.6 1.0
HG22 B:THR21 4.2 23.6 1.0
HG21 B:THR21 4.2 23.6 1.0
ND1 B:HIS126 4.3 19.9 1.0
C13 B:REQ202 4.3 23.0 1.0
C10 B:REQ202 4.3 27.9 1.0
C15 B:REQ202 4.4 19.2 1.0
CG2 B:THR21 4.4 19.6 1.0
CG B:HIS126 4.5 19.9 1.0
C8 B:REQ202 4.5 31.9 1.0
HB1 B:ALA19 4.6 25.0 1.0
C14 B:REQ202 4.9 20.1 1.0
C9 B:REQ202 4.9 32.0 1.0
O B:HOH339 5.0 39.7 1.0

Reference:

K.Takematsu, H.R.Williamson, P.Nikolovski, J.T.Kaiser, Y.Sheng, P.Pospisil, M.Towrie, J.Heyda, D.Hollas, S.Zalis, H.B.Gray, A.Vlcek, J.R.Winkler. Two Tryptophans Are Better Than One in Accelerating Electron Flow Through A Protein. Acs Cent Sci V. 5 192 2019.
ISSN: ESSN 2374-7943
PubMed: 30693338
DOI: 10.1021/ACSCENTSCI.8B00882
Page generated: Wed Dec 16 02:07:28 2020

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