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

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

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

Copper

(Cu)

2 atoms

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 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 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

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