Rhenium in PDB 3qe8: Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+

All present enzymatic activity of Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+:
3.2.1.17;

The structure of Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+, PDB code: 3qe8 was solved by F.Zobi, B.Spingler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.87 / 1.49
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.896, 77.996, 80.081, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 21.9

The structure of Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+ also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Rhenium atom in the Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+ (pdb code 3qe8). This binding sites where shown within 5.0 Angstroms radius around Rhenium atom.
In total 2 binding sites of Rhenium where determined in the Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+, PDB code: 3qe8:
Jump to Rhenium binding site number: 1; 2;

Rhenium binding site 1 out of 2 in the Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 1 of Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Re150 b:46.4 occ:0.80 RE A:REI150 0.0 46.4 0.8 C2 A:REI150 1.9 39.5 0.8 C1 A:REI150 1.9 28.9 0.8 C3 A:REI150 1.9 33.0 0.8 NE2 A:HIS15 2.0 29.9 1.0 OW A:REI150 2.2 61.0 0.8 N1 A:REI150 2.2 33.4 0.8 CE1 A:HIS15 2.7 23.7 1.0 O1 A:REI150 3.0 65.5 0.8 O2 A:REI150 3.0 33.2 0.8 O3 A:REI150 3.1 29.1 0.8 C5 A:REI150 3.1 22.6 0.8 C6 A:REI150 3.2 51.9 0.8 CD2 A:HIS15 3.3 24.7 1.0 ND1 A:HIS15 3.9 26.7 1.0 O A:HOH327 4.2 38.9 1.0 NH1 A:ARG14 4.2 43.7 1.0 N2 A:REI150 4.2 47.0 0.8 CG A:HIS15 4.2 27.3 1.0 C7 A:REI150 4.3 59.2 0.8 OD1 A:ASP87 4.7 32.0 1.0 OG1 A:THR89 4.9 20.8 1.0 CD A:ARG14 4.9 47.3 1.0

Rhenium binding site 2 out of 2 in the Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 2 of Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Re170 b:25.1 occ:0.80 RE B:REI170 0.0 25.1 0.8 C1 B:REI170 1.9 18.5 0.8 C2 B:REI170 1.9 29.5 0.8 C3 B:REI170 1.9 17.1 0.8 NE2 B:HIS15 2.2 22.0 1.0 OW B:REI170 2.2 20.6 0.8 N1 B:REI170 2.2 16.6 0.8 O1 B:REI170 3.0 52.1 0.8 CE1 B:HIS15 3.0 29.7 1.0 O2 B:REI170 3.1 43.6 0.8 O3 B:REI170 3.1 18.6 0.8 C5 B:REI170 3.1 47.2 0.8 C6 B:REI170 3.2 42.2 0.8 CD2 B:HIS15 3.3 20.8 1.0 OD2 B:ASP87 4.0 25.9 1.0 ND1 B:HIS15 4.2 25.2 1.0 N2 B:REI170 4.2 64.8 0.8 C7 B:REI170 4.3 60.2 0.8 CG B:HIS15 4.4 16.8 1.0 CG B:ASP87 4.7 37.3 1.0 OD1 B:ASP87 4.8 22.1 1.0 O B:HOH325 4.8 34.8 1.0 OG1 B:THR89 4.9 20.3 1.0 O B:HOH461 5.0 35.0 1.0

F.Zobi, B.Spingler. Post-Protein-Binding Reactivity and Modifications of the Fac-[Re(Co)3]+ Core Inorg.Chem. V. 51 1210 2012.
ISSN: ISSN 0020-1669
PubMed: 22229733
DOI: 10.1021/IC2023314