Rhenium in PDB 3axf: Perrhenate Binding to A11C/R153C Moda Mutant

The structure of Perrhenate Binding to A11C/R153C Moda Mutant, PDB code: 3axf was solved by C.He, B.P.Aryal, P.Brugarolas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.751, 77.458, 163.033, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 25.8

The binding sites of Rhenium atom in the Perrhenate Binding to A11C/R153C Moda Mutant (pdb code 3axf). This binding sites where shown within 5.0 Angstroms radius around Rhenium atom.
In total 3 binding sites of Rhenium where determined in the Perrhenate Binding to A11C/R153C Moda Mutant, PDB code: 3axf:
Jump to Rhenium binding site number: 1; 2; 3;

Rhenium binding site 1 out of 3 in the Perrhenate Binding to A11C/R153C Moda Mutant


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 1 of Perrhenate Binding to A11C/R153C Moda Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Re301 b:30.2 occ:1.00 RE A:REO301 0.0 30.2 1.0 O15 A:REO301 1.6 19.8 1.0 O12 A:REO301 1.6 20.4 1.0 O14 A:REO301 1.9 30.8 1.0 O13 A:REO301 1.9 36.3 1.0 CB A:ALA58 3.8 25.9 1.0 CG1 A:VAL152 4.1 29.1 1.0 CD A:PRO124 4.1 22.8 1.0 CB A:ALA10 4.2 23.9 1.0 CB A:CYS11 4.3 31.8 1.0 OH A:TYR170 4.3 24.7 1.0 CB A:VAL152 4.3 29.7 1.0 N A:CYS11 4.4 25.0 1.0 CG1 A:VAL123 4.4 22.5 1.0 CE2 A:TYR170 4.4 25.1 1.0 N A:VAL152 4.4 27.7 1.0 CG A:PRO124 4.4 24.6 1.0 N A:SER39 4.5 21.1 1.0 CA A:SER38 4.5 23.2 1.0 OG A:SER39 4.6 24.5 1.0 CB A:PRO124 4.6 25.7 1.0 OG A:SER12 4.6 30.4 1.0 N A:SER12 4.7 27.8 1.0 N A:ALA125 4.8 26.8 1.0 CA A:ALA10 4.8 22.8 1.0 OG A:SER38 4.9 27.3 1.0 CZ A:TYR170 4.9 26.7 1.0 N A:PRO124 4.9 23.1 1.0 O A:ALA37 4.9 25.0 1.0 C A:ALA10 5.0 25.1 1.0

Rhenium binding site 2 out of 3 in the Perrhenate Binding to A11C/R153C Moda Mutant


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 2 of Perrhenate Binding to A11C/R153C Moda Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Re301 b:24.7 occ:1.00 RE B:REO301 0.0 24.7 1.0 O14 B:REO301 1.7 18.0 1.0 O15 B:REO301 1.7 20.1 1.0 O12 B:REO301 1.8 20.4 1.0 O13 B:REO301 1.9 26.1 1.0 CB B:ALA58 3.9 19.1 1.0 CG1 B:VAL152 4.0 17.3 1.0 CD B:PRO124 4.2 19.0 1.0 CG1 B:VAL123 4.3 17.4 1.0 CG B:PRO124 4.3 19.1 1.0 CE2 B:TYR170 4.4 19.1 1.0 CB B:ALA10 4.4 20.0 1.0 OH B:TYR170 4.4 19.2 1.0 CB B:VAL152 4.4 21.8 1.0 N B:VAL152 4.4 20.8 1.0 CA B:SER38 4.4 19.2 1.0 N B:CYS11 4.5 20.3 1.0 CB B:PRO124 4.5 19.0 1.0 OG B:SER39 4.5 24.1 1.0 N B:SER39 4.5 20.5 1.0 OG B:SER12 4.7 27.9 1.0 N B:ALA125 4.7 18.6 1.0 SG B:CYS11 4.7 38.1 1.0 O B:ALA37 4.7 21.6 1.0 OG B:SER38 4.8 20.5 1.0 N B:SER12 4.9 21.4 1.0 CA B:ALA10 4.9 19.5 1.0 CZ B:TYR170 4.9 19.2 1.0 N B:PRO124 5.0 19.3 1.0

Rhenium binding site 3 out of 3 in the Perrhenate Binding to A11C/R153C Moda Mutant


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 3 of Perrhenate Binding to A11C/R153C Moda Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Re301 b:69.4 occ:1.00 RE C:REO301 0.0 69.4 1.0 O13 C:REO301 1.8 69.7 1.0 O12 C:REO301 1.8 70.3 1.0 O15 C:REO301 1.8 74.8 1.0 O14 C:REO301 1.8 71.9 1.0 CG1 C:VAL152 3.7 61.6 1.0 CG C:PRO124 4.0 53.9 1.0 OG C:SER12 4.1 64.3 1.0 CB C:ALA58 4.1 56.3 1.0 CG1 C:VAL123 4.2 58.7 1.0 CB C:VAL152 4.3 62.0 1.0 OH C:TYR170 4.3 53.5 1.0 N C:CYS11 4.4 65.5 0.5 N C:CYS11 4.4 65.7 0.5 CA C:SER38 4.4 63.3 1.0 CD C:PRO124 4.4 56.1 1.0 CB C:ALA10 4.4 60.6 1.0 CE2 C:TYR170 4.4 58.2 1.0 N C:SER39 4.4 59.8 1.0 OG C:SER39 4.4 59.1 1.0 N C:VAL152 4.4 63.8 1.0 N C:SER12 4.5 65.0 1.0 OG C:SER38 4.5 59.3 1.0 CB C:SER12 4.6 63.4 1.0 CA C:ALA10 4.8 62.2 1.0 CB C:SER38 4.8 63.1 1.0 CB C:PRO124 4.8 53.3 1.0 CB C:CYS11 4.8 67.8 0.5 CZ C:TYR170 4.9 55.6 1.0 N C:ALA125 4.9 53.1 1.0 C C:ALA10 5.0 64.5 1.0 C C:SER38 5.0 62.4 1.0

B.P.Aryal, P.Brugarolas, C.He. Binding of Reo(4) (-) with An Engineered Moo (4) (2-)-Binding Protein: Towards A New Approach in Radiopharmaceutical Applications. J.Biol.Inorg.Chem. V. 17 97 2012.
ISSN: ISSN 0949-8257
PubMed: 21861186
DOI: 10.1007/S00775-011-0833-4