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Manganese in PDB 6t2a: Mopeia Virus Exonuclease Domain Partially Complexed with Manganese

Protein crystallography data

The structure of Mopeia Virus Exonuclease Domain Partially Complexed with Manganese, PDB code: 6t2a 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) 43.97 / 2.00
Space group P 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 45.597, 37.969, 137.379, 90, 93.31, 90
R / Rfree (%) 23.2 / 26.7

Other elements in 6t2a:

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

Zinc (Zn) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Mopeia Virus Exonuclease Domain Partially Complexed with Manganese (pdb code 6t2a). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Mopeia Virus Exonuclease Domain Partially Complexed with Manganese, PDB code: 6t2a:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 6t2a

Go back to Manganese Binding Sites List in 6t2a
Manganese binding site 1 out of 2 in the Mopeia Virus Exonuclease Domain Partially Complexed with Manganese


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 Partially Complexed with Manganese within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn602

b:35.1
occ:0.34
OD2 A:ASP534 2.1 23.8 1.0
O A:HOH749 2.3 36.5 1.0
OD1 A:ASP390 2.6 11.1 1.0
OE2 A:GLU392 2.6 16.9 1.0
CG A:ASP534 3.2 18.3 1.0
CG A:ASP390 3.4 11.9 1.0
OD2 A:ASP390 3.4 9.2 1.0
CD A:GLU392 3.8 19.0 1.0
O A:ILE391 3.9 14.0 1.0
CB A:ASP534 3.9 12.7 1.0
NH2 A:ARG493 4.0 30.4 1.0
OD1 A:ASP534 4.2 19.2 1.0
CB A:HIS529 4.2 20.3 1.0
CG A:GLU392 4.4 12.9 1.0
O A:HOH754 4.6 31.1 1.0
CG A:HIS529 4.7 23.4 1.0
O A:CYS530 4.7 16.2 1.0
CA A:ALA531 4.8 7.2 1.0
C A:ILE391 4.8 12.2 1.0
ND1 A:HIS529 4.8 24.1 1.0
CB A:ASP390 4.8 6.4 1.0
OE1 A:GLU392 4.8 30.1 1.0
C A:CYS530 5.0 11.6 1.0
N A:ALA531 5.0 9.4 1.0

Manganese binding site 2 out of 2 in 6t2a

Go back to Manganese Binding Sites List in 6t2a
Manganese binding site 2 out of 2 in the Mopeia Virus Exonuclease Domain Partially Complexed with Manganese


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 Partially Complexed with Manganese within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn602

b:37.3
occ:0.52
OD2 B:ASP390 2.2 24.1 1.0
OD2 B:ASP534 2.3 30.9 1.0
OE2 B:GLU392 2.6 38.5 1.0
CG B:ASP390 3.1 19.9 1.0
OD1 B:ASP390 3.3 22.8 1.0
O B:HOH704 3.3 48.2 1.0
CG B:ASP534 3.3 25.1 1.0
CB B:ASP534 3.6 19.0 1.0
O B:ILE391 3.7 18.1 1.0
CD B:GLU392 3.7 37.4 1.0
CG B:GLU392 4.2 29.1 1.0
CA B:ALA531 4.4 20.3 1.0
O B:CYS530 4.4 21.4 1.0
O B:HOH734 4.4 30.9 1.0
OD1 B:ASP534 4.5 29.2 1.0
C B:ILE391 4.5 18.9 1.0
CB B:ASP390 4.5 13.2 1.0
NH2 B:ARG493 4.6 46.5 1.0
N B:ALA531 4.6 18.8 1.0
C B:CYS530 4.6 20.4 1.0
CB B:HIS529 4.6 34.6 1.0
OE1 B:GLU392 4.7 40.4 1.0
N B:ILE391 4.8 17.5 1.0

Reference:

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.
Page generated: Sat Apr 17 16:50:13 2021

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