Manganese in PDB 6t6l: Mopeia Virus Exonuclease Domain Complexed Soak with Alendronate

The structure of Mopeia Virus Exonuclease Domain Complexed Soak with Alendronate, PDB code: 6t6l was solved by T.H.V.Nguyen, F.Ferron, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.65 / 1.76
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	133.211, 111.337, 49.149, 90, 104.17, 90
R / Rfree (%)	19.1 / 22.2

The structure of Mopeia Virus Exonuclease Domain Complexed Soak with Alendronate also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Manganese atom in the Mopeia Virus Exonuclease Domain Complexed Soak with Alendronate (pdb code 6t6l). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Mopeia Virus Exonuclease Domain Complexed Soak with Alendronate, PDB code: 6t6l:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the Mopeia Virus Exonuclease Domain Complexed Soak with Alendronate


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Mopeia Virus Exonuclease Domain Complexed Soak with Alendronate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn601 b:21.2 occ:1.00 OE2 A:GLU392 2.0 18.9 1.0 OD2 A:ASP534 2.1 18.5 1.0 O A:HOH722 2.2 15.7 1.0 OD2 A:ASP390 2.3 18.8 1.0 O A:HOH744 2.3 24.6 1.0 O A:HOH853 2.4 26.3 1.0 CD A:GLU392 3.1 25.3 1.0 CG A:ASP390 3.2 20.1 1.0 CG A:ASP534 3.2 21.1 1.0 OD1 A:ASP390 3.4 18.9 1.0 OE1 A:GLU392 3.6 19.8 1.0 CB A:ASP534 3.7 19.0 1.0 O A:ILE391 4.0 18.4 1.0 NH2 A:ARG493 4.3 22.2 1.0 OD1 A:ASP534 4.3 18.2 1.0 O A:HOH856 4.3 37.4 1.0 CB A:HIS529 4.3 19.3 1.0 CG A:GLU392 4.4 16.4 1.0 O A:CYS530 4.4 15.6 1.0 O A:HOH742 4.5 35.9 1.0 CA A:ALA531 4.5 16.5 1.0 O A:HOH874 4.5 17.7 1.0 CB A:ASP390 4.6 15.8 1.0 C A:CYS530 4.7 17.0 1.0 C A:ILE391 4.8 19.1 1.0 N A:ALA531 4.8 15.8 1.0 CG A:HIS529 4.9 21.1 1.0 ND1 A:HIS529 4.9 26.0 1.0

Manganese binding site 2 out of 3 in the Mopeia Virus Exonuclease Domain Complexed Soak with Alendronate


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Mopeia Virus Exonuclease Domain Complexed Soak with Alendronate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn601 b:21.2 occ:1.00 OE2 B:GLU392 2.1 22.1 1.0 OD2 B:ASP390 2.1 19.8 1.0 OD2 B:ASP534 2.2 20.4 1.0 O B:HOH715 2.3 21.2 1.0 O B:HOH756 2.3 22.7 1.0 O B:HOH773 2.4 26.2 1.0 CG B:ASP390 3.1 20.3 1.0 CD B:GLU392 3.1 25.5 1.0 CG B:ASP534 3.2 16.8 1.0 OD1 B:ASP390 3.4 21.4 1.0 OE1 B:GLU392 3.5 21.8 1.0 CB B:ASP534 3.7 17.6 1.0 O B:ILE391 3.9 18.1 1.0 NH2 B:ARG493 4.2 25.7 1.0 OD1 B:ASP534 4.3 16.9 1.0 CB B:HIS529 4.4 21.2 1.0 CG B:GLU392 4.4 17.7 1.0 CB B:ASP390 4.5 18.1 1.0 O B:CYS530 4.5 19.0 1.0 CA B:ALA531 4.5 18.9 1.0 O B:HOH809 4.6 21.7 1.0 C B:ILE391 4.7 18.0 1.0 ND1 B:HIS529 4.8 27.0 1.0 C B:CYS530 4.8 18.1 1.0 N B:ALA531 4.8 15.6 1.0 CG B:HIS529 4.9 23.1 1.0 N B:ILE391 5.0 17.6 1.0

Manganese binding site 3 out of 3 in the Mopeia Virus Exonuclease Domain Complexed Soak with Alendronate


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Mopeia Virus Exonuclease Domain Complexed Soak with Alendronate within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn601 b:23.0 occ:1.00 OE2 C:GLU392 2.0 20.6 1.0 O C:HOH706 2.1 15.3 1.0 OD2 C:ASP534 2.1 16.4 1.0 O C:HOH765 2.3 21.7 1.0 OD2 C:ASP390 2.3 17.6 1.0 O C:HOH758 2.5 38.0 1.0 CD C:GLU392 3.1 26.9 1.0 CG C:ASP534 3.1 17.8 1.0 CG C:ASP390 3.3 17.6 1.0 OD1 C:ASP390 3.5 22.9 1.0 OE1 C:GLU392 3.6 22.0 1.0 CB C:ASP534 3.6 14.1 1.0 O C:ILE391 3.9 19.2 1.0 CB C:HIS529 4.2 17.9 1.0 NH2 C:ARG493 4.2 21.3 1.0 OD1 C:ASP534 4.2 19.1 1.0 CG C:GLU392 4.4 20.9 1.0 O C:CYS530 4.4 18.2 1.0 O C:HOH751 4.4 34.1 1.0 O C:HOH857 4.5 21.7 1.0 CA C:ALA531 4.6 18.7 1.0 CB C:ASP390 4.6 16.3 1.0 C C:ILE391 4.7 19.1 1.0 C C:CYS530 4.7 18.8 1.0 N C:ALA531 4.8 16.4 1.0 CG C:HIS529 4.8 21.3 1.0 ND1 C:HIS529 5.0 24.4 1.0

E.Yekwa, T.H.V.Nguyen, M.Mathieu, I.Imbert, B.Selisko, B.Canard, S.Baize, F.Ferron. Serendipity in Arenaviridae Np Exonuclease Inhibitor Discovery. To Be Published.