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Manganese in PDB 7v0c: Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg

Enzymatic activity of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg

All present enzymatic activity of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg:
2.7.7.86;

Protein crystallography data

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg, PDB code: 7v0c was solved by S.Wu, S.B.Gabelli, J.Sohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.99 / 2.57
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.193, 98.831, 142.619, 90, 90, 90
R / Rfree (%) 20.4 / 24

Other elements in 7v0c:

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg (pdb code 7v0c). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg, PDB code: 7v0c:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 7v0c

Go back to Manganese Binding Sites List in 7v0c
Manganese binding site 1 out of 4 in the Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn603

b:49.5
occ:1.00
 OE2 A:GLU211 2.1 42.7 1.0
OD2 A:ASP307 2.1 52.2 1.0
OD1 A:ASP213 2.2 40.5 1.0
O9 A:OKR601 2.4 41.9 1.0
CD A:GLU211 3.2 43.4 1.0
CG A:ASP307 3.3 50.8 1.0
CG A:ASP213 3.3 40.9 1.0
P2 A:OKR601 3.4 40.6 1.0
OE1 A:GLU211 3.7 43.6 1.0
MN A:MN604 3.7 47.9 1.0
OD2 A:ASP213 3.8 39.4 1.0
O7 A:OKR601 3.8 44.1 1.0
O8 A:OKR601 3.8 37.0 1.0
CB A:ASP307 3.9 49.6 1.0
N1 A:OKR601 4.0 59.8 1.0
OD1 A:ASP307 4.2 54.4 1.0
O6 A:OKR601 4.4 54.5 1.0
CB A:ASP213 4.5 41.4 1.0
CG A:GLU211 4.5 44.2 1.0
C1 A:OKR601 4.7 61.9 1.0
O14 A:OKR601 4.7 42.7 1.0
O10 A:OKR601 4.8 41.5 1.0
N2 A:OKR601 4.9 63.6 1.0
O A:PHE212 5.0 45.3 1.0

Manganese binding site 2 out of 4 in 7v0c

Go back to Manganese Binding Sites List in 7v0c
Manganese binding site 2 out of 4 in the Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn604

b:47.9
occ:1.00
 O14 A:OKR601 2.1 42.7 1.0
O A:HOH703 2.1 37.0 1.0
O9 A:OKR601 2.2 41.9 1.0
OD2 A:ASP213 2.2 39.4 1.0
OE1 A:GLU211 2.3 43.6 1.0
O12 A:OKR601 2.4 37.0 1.0
CD A:GLU211 3.1 43.4 1.0
CG A:ASP213 3.1 40.9 1.0
OE2 A:GLU211 3.3 42.7 1.0
P3 A:OKR601 3.3 38.5 1.0
P2 A:OKR601 3.4 40.6 1.0
P4 A:OKR601 3.4 40.5 1.0
OD1 A:ASP213 3.4 40.5 1.0
O10 A:OKR601 3.5 41.5 1.0
O13 A:OKR601 3.6 39.4 1.0
MN A:MN603 3.7 49.5 1.0
OG A:SER199 3.8 42.8 1.0
O16 A:OKR601 4.0 39.2 1.0
N1 A:OKR601 4.1 59.8 1.0
O A:HOH716 4.1 35.4 1.0
O A:GLU211 4.3 41.5 1.0
N A:SER199 4.3 40.9 1.0
O8 A:OKR601 4.3 37.0 1.0
CG A:GLU211 4.4 44.2 1.0
O7 A:OKR601 4.5 44.1 1.0
CB A:ASP213 4.5 41.4 1.0
O15 A:OKR601 4.6 42.2 1.0
CB A:GLU211 4.6 43.4 1.0
C A:GLU211 4.7 42.5 1.0
CB A:SER199 4.7 40.5 1.0
O11 A:OKR601 4.8 39.9 1.0
CA A:GLY198 4.9 40.7 1.0
N A:ASP213 5.0 43.6 1.0

Manganese binding site 3 out of 4 in 7v0c

Go back to Manganese Binding Sites List in 7v0c
Manganese binding site 3 out of 4 in the Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn603

b:50.4
occ:1.00
 OE2 C:GLU211 2.0 45.7 1.0
O C:HOH707 2.0 35.4 1.0
OD1 C:ASP213 2.1 47.5 1.0
OD2 C:ASP307 2.2 54.6 1.0
O9 C:OKR601 2.4 43.8 1.0
CD C:GLU211 3.0 46.4 1.0
CG C:ASP213 3.2 47.0 1.0
CG C:ASP307 3.3 54.2 1.0
P2 C:OKR601 3.4 43.7 1.0
OE1 C:GLU211 3.5 45.4 1.0
MN C:MN604 3.5 49.5 1.0
OD2 C:ASP213 3.6 44.4 1.0
O8 C:OKR601 3.8 42.6 1.0
O7 C:OKR601 3.8 46.2 1.0
CB C:ASP307 3.9 53.7 1.0
N1 C:OKR601 4.0 72.1 1.0
OD1 C:ASP307 4.2 57.1 1.0
CG C:GLU211 4.4 47.4 1.0
CB C:ASP213 4.4 47.7 1.0
O6 C:OKR601 4.5 55.3 1.0
C1 C:OKR601 4.7 73.8 1.0
O14 C:OKR601 4.8 44.0 1.0
O10 C:OKR601 4.8 44.7 1.0
O C:PHE212 4.8 51.2 1.0
N2 C:OKR601 4.9 75.3 1.0

Manganese binding site 4 out of 4 in 7v0c

Go back to Manganese Binding Sites List in 7v0c
Manganese binding site 4 out of 4 in the Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn604

b:49.5
occ:1.00
 O9 C:OKR601 2.0 43.8 1.0
OD2 C:ASP213 2.2 44.4 1.0
O C:HOH704 2.2 32.2 1.0
O14 C:OKR601 2.2 44.0 1.0
OE1 C:GLU211 2.3 45.4 1.0
O12 C:OKR601 2.3 44.8 1.0
CD C:GLU211 3.1 46.4 1.0
CG C:ASP213 3.1 47.0 1.0
P2 C:OKR601 3.2 43.7 1.0
P3 C:OKR601 3.3 42.1 1.0
OD1 C:ASP213 3.3 47.5 1.0
OE2 C:GLU211 3.3 45.7 1.0
O10 C:OKR601 3.4 44.7 1.0
P4 C:OKR601 3.5 42.3 1.0
MN C:MN603 3.5 50.4 1.0
O13 C:OKR601 3.6 41.1 1.0
OG C:SER199 3.9 45.2 1.0
N1 C:OKR601 4.0 72.1 1.0
O8 C:OKR601 4.2 42.6 1.0
O16 C:OKR601 4.2 40.5 1.0
N C:SER199 4.3 43.2 1.0
O C:HOH703 4.3 31.9 1.0
CG C:GLU211 4.3 47.4 1.0
O7 C:OKR601 4.4 46.2 1.0
O C:GLU211 4.4 45.1 1.0
CB C:ASP213 4.5 47.7 1.0
O15 C:OKR601 4.6 41.6 1.0
O11 C:OKR601 4.7 45.0 1.0
CB C:GLU211 4.7 47.5 1.0
C C:GLU211 4.7 47.0 1.0
O C:HOH707 4.8 35.4 1.0
CB C:SER199 4.8 43.3 1.0
CA C:GLY198 4.8 43.9 1.0
N C:ASP213 4.9 49.1 1.0

Reference:

S.Wu, S.B.Gabelli, J.S.Sohn. Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg To Be Published.
Page generated: Sun Oct 6 10:57:52 2024

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