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Manganese in PDB 6q99: Ande Virus L Protein N-Terminus Mutant K124A

Protein crystallography data

The structure of Ande Virus L Protein N-Terminus Mutant K124A, PDB code: 6q99 was solved by Y.Fernandez-Garcia, T.Holm, J.Kirchmair, S.Wurr, S.Gunther, S.Reindl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 79.60 / 2.95
Space group P 4 21 2
Cell size a, b, c (Å), α, β, γ (°) 82.341, 82.341, 79.599, 90.00, 90.00, 90.00
R / Rfree (%) 23.8 / 31.3

Manganese Binding Sites:

The binding sites of Manganese atom in the Ande Virus L Protein N-Terminus Mutant K124A (pdb code 6q99). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Ande Virus L Protein N-Terminus Mutant K124A, PDB code: 6q99:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 6q99

Go back to Manganese Binding Sites List in 6q99
Manganese binding site 1 out of 2 in the Ande Virus L Protein N-Terminus Mutant K124A


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Ande Virus L Protein N-Terminus Mutant K124A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn301

b:45.0
occ:1.00
OD2 A:ASP97 2.5 19.1 1.0
O A:VAL111 2.5 21.8 1.0
NE2 A:HIS36 3.2 20.9 1.0
OE1 A:GLU110 3.2 24.0 1.0
CD A:GLU110 3.4 27.4 1.0
CE1 A:HIS36 3.5 21.1 1.0
CG A:ASP97 3.5 19.1 1.0
C A:VAL111 3.7 19.9 1.0
MN A:MN3302 3.8 0.6 1.0
OE2 A:GLU110 3.8 28.7 1.0
CG A:GLU110 3.9 18.4 1.0
OD1 A:ASP97 3.9 19.6 1.0
CD2 A:HIS36 3.9 29.4 1.0
ND1 A:HIS36 4.3 22.0 1.0
N A:VAL111 4.4 18.7 1.0
CG A:HIS36 4.6 22.5 1.0
N A:THR112 4.6 20.3 1.0
CA A:VAL111 4.6 19.3 1.0
CA A:THR112 4.7 21.2 1.0
CB A:ASP97 4.9 18.5 1.0
CB A:THR112 4.9 21.1 1.0

Manganese binding site 2 out of 2 in 6q99

Go back to Manganese Binding Sites List in 6q99
Manganese binding site 2 out of 2 in the Ande Virus L Protein N-Terminus Mutant K124A


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Ande Virus L Protein N-Terminus Mutant K124A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn302

b:0.6
occ:1.00
OD1 A:ASP97 2.4 19.6 1.0
OE1 A:GLU54 2.6 44.5 1.0
CG A:ASP97 3.0 19.1 1.0
OD2 A:ASP97 3.3 19.1 1.0
O A:THR95 3.6 22.3 1.0
CD A:GLU54 3.7 45.2 1.0
MN A:MN3301 3.8 45.0 1.0
CB A:ASP97 4.3 18.5 1.0
N A:ASP97 4.3 22.4 1.0
CA A:ASP97 4.4 18.1 1.0
OE1 A:GLU110 4.4 24.0 1.0
OE2 A:GLU110 4.5 28.7 1.0
OE2 A:GLU54 4.5 52.8 1.0
C A:PRO96 4.5 17.6 1.0
CG A:GLU54 4.7 44.8 1.0
C A:THR95 4.7 18.1 1.0
CE1 A:HIS36 4.7 21.1 1.0
CD A:GLU110 4.8 27.4 1.0
CB A:GLU54 4.8 36.9 1.0
O A:PRO96 4.9 20.8 1.0
CA A:PRO96 5.0 17.4 1.0

Reference:

Y.Fernandez-Garcia, J.Kirchmair, T.Holm, S.Wurr, S.Gunther, S.Reindl. Specific Inhibition of A Diverse Set of Segmented Negative Strand Viruses By A Single Molecule To Be Published.
Page generated: Sun Oct 6 05:54:45 2024

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