Rhenium in PDB 5k1j: Human Ttr Altered By A Rhenium Tris-Carbonyl Pyta-C8 Derivative

The structure of Human Ttr Altered By A Rhenium Tris-Carbonyl Pyta-C8 Derivative, PDB code: 5k1j was solved by E.A.Stura, L.Ciccone, W.Shepard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.55 / 1.69
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.820, 83.100, 65.340, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 22.2

The binding sites of Rhenium atom in the Human Ttr Altered By A Rhenium Tris-Carbonyl Pyta-C8 Derivative (pdb code 5k1j). This binding sites where shown within 5.0 Angstroms radius around Rhenium atom.
In total 2 binding sites of Rhenium where determined in the Human Ttr Altered By A Rhenium Tris-Carbonyl Pyta-C8 Derivative, PDB code: 5k1j:
Jump to Rhenium binding site number: 1; 2;

Rhenium binding site 1 out of 2 in the Human Ttr Altered By A Rhenium Tris-Carbonyl Pyta-C8 Derivative


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 1 of Human Ttr Altered By A Rhenium Tris-Carbonyl Pyta-C8 Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Re206 b:60.2 occ:0.30 OG1 A:THR96 3.1 40.4 1.0 N A:THR96 3.5 23.6 1.0 O A:THR96 3.7 28.7 1.0 CD2 B:HIS88 3.9 31.7 1.0 NE2 B:HIS88 3.9 33.1 1.0 CB A:THR96 4.2 28.1 1.0 CE2 B:TYR114 4.2 25.6 1.0 CA A:THR96 4.3 25.3 1.0 OXT A:ACT204 4.3 49.9 1.0 CA A:PHE95 4.3 21.1 1.0 C A:PHE95 4.4 23.8 1.0 CD2 B:TYR114 4.4 22.5 1.0 C A:THR96 4.4 26.6 1.0 CD2 B:PHE87 4.5 42.9 1.0 CB A:PHE95 4.5 23.4 1.0 CB B:PHE87 4.6 31.2 1.0 O B:PRO113 4.6 21.0 1.0 CG2 A:THR96 4.7 23.8 1.0 O A:HOH366 4.8 54.6 1.0 CZ B:TYR114 5.0 28.7 1.0

Rhenium binding site 2 out of 2 in the Human Ttr Altered By A Rhenium Tris-Carbonyl Pyta-C8 Derivative


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 2 of Human Ttr Altered By A Rhenium Tris-Carbonyl Pyta-C8 Derivative within 5.0Å range: probe atom residue distance (Å) B Occ B:Re204 b:66.6 occ:0.30 OG1 B:THR75 3.3 21.9 1.0 O B:GLU89 3.7 26.1 0.5 CG2 B:THR75 3.9 20.1 1.0 NE1 B:TRP79 3.9 28.4 1.0 C B:GLU89 4.0 27.3 0.5 CA B:GLU89 4.1 20.2 0.5 CB B:THR75 4.2 19.8 1.0 O B:HOH319 4.2 41.1 1.0 O B:HIS88 4.2 24.1 1.0 C B:GLU89 4.2 19.1 0.5 CA B:GLU89 4.2 30.5 0.5 O B:HIS90 4.4 24.4 0.5 CD2 B:LEU111 4.5 29.4 1.0 N B:HIS90 4.5 19.6 0.5 O B:GLU89 4.6 17.9 0.5 N B:HIS90 4.6 26.3 0.5 ND1 B:HIS88 4.7 31.3 1.0 CE2 B:TRP79 4.7 31.5 1.0 CD1 B:LEU111 4.7 29.0 1.0 CZ2 B:TRP79 4.7 42.1 1.0 CE1 B:HIS88 4.8 34.0 1.0 N B:GLU89 4.8 21.9 0.5 C B:HIS90 4.8 26.9 0.5 C B:HIS88 4.8 24.1 1.0 N B:GLU89 4.9 27.6 0.5 CD1 B:TRP79 4.9 27.2 1.0

L.Ciccone, C.Policar, E.A.Stura, W.Shepard. Human Ttr Conformation Altered By Rhenium Tris-Carbonyl Derivatives. J.Struct.Biol. V. 195 353 2016.
ISSN: ESSN 1095-8657
PubMed: 27402536
DOI: 10.1016/J.JSB.2016.07.002