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Manganese in PDB 7uzr: 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: 7uzr 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) 29.01 / 2.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.534, 99, 143.091, 90, 90, 90
R / Rfree (%) 18.9 / 24.5

Other elements in 7uzr:

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 7uzr). 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: 7uzr:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 7uzr

Go back to Manganese Binding Sites List in 7uzr
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:48.1
occ:1.00
 OD2 A:ASP307 1.9 55.3 1.0
OE2 A:GLU211 2.0 39.0 1.0
OD1 A:ASP213 2.1 41.9 1.0
O9 A:OKR601 2.4 38.6 1.0
CG A:ASP307 3.1 53.1 1.0
CD A:GLU211 3.2 46.8 1.0
CG A:ASP213 3.2 40.0 1.0
P2 A:OKR601 3.3 43.3 1.0
OE1 A:GLU211 3.7 61.7 1.0
O8 A:OKR601 3.7 36.9 1.0
OD2 A:ASP213 3.7 44.3 1.0
O7 A:OKR601 3.8 47.3 1.0
CB A:ASP307 3.9 49.7 1.0
MN A:MN604 3.9 43.7 1.0
N1 A:OKR601 4.1 72.3 1.0
OD1 A:ASP307 4.1 52.6 1.0
O6 A:OKR601 4.3 77.9 1.0
CG A:GLU211 4.4 47.0 1.0
CB A:ASP213 4.5 42.0 1.0
O14 A:OKR601 4.7 44.9 1.0
O10 A:OKR601 4.8 42.8 1.0
C1 A:OKR601 4.9 79.5 1.0
N2 A:OKR601 5.0 90.5 1.0

Manganese binding site 2 out of 4 in 7uzr

Go back to Manganese Binding Sites List in 7uzr
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:43.7
occ:1.00
 OE1 A:GLU211 1.9 61.7 1.0
OD2 A:ASP213 2.1 44.3 1.0
O14 A:OKR601 2.1 44.9 1.0
O A:HOH702 2.3 59.7 1.0
O9 A:OKR601 2.3 38.6 1.0
O12 A:OKR601 2.4 42.9 1.0
CD A:GLU211 3.0 46.8 1.0
CG A:ASP213 3.1 40.0 1.0
P4 A:OKR601 3.3 45.4 1.0
OD1 A:ASP213 3.3 41.9 1.0
P3 A:OKR601 3.3 44.9 1.0
OE2 A:GLU211 3.4 39.0 1.0
P2 A:OKR601 3.5 43.3 1.0
O10 A:OKR601 3.5 42.8 1.0
OG A:SER199 3.6 51.1 1.0
O13 A:OKR601 3.6 43.8 1.0
O16 A:OKR601 3.8 39.8 1.0
MN A:MN603 3.9 48.1 1.0
N1 A:OKR601 4.2 72.3 1.0
CG A:GLU211 4.2 47.0 1.0
N A:SER199 4.3 45.5 1.0
CB A:ASP213 4.4 42.0 1.0
O8 A:OKR601 4.5 36.9 1.0
O A:GLU211 4.5 45.1 1.0
CB A:GLU211 4.5 44.6 1.0
CB A:SER199 4.6 42.2 1.0
O7 A:OKR601 4.6 47.3 1.0
O15 A:OKR601 4.6 54.0 1.0
C A:GLU211 4.7 42.6 1.0
O11 A:OKR601 4.8 55.7 1.0
CA A:GLY198 4.8 39.6 1.0
N A:ASP213 4.9 45.8 1.0

Manganese binding site 3 out of 4 in 7uzr

Go back to Manganese Binding Sites List in 7uzr
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:55.0
occ:1.00
 OE2 C:GLU211 1.9 47.5 1.0
OD2 C:ASP307 2.0 72.4 1.0
OD1 C:ASP213 2.0 48.0 1.0
O9 C:OKR601 2.3 56.7 1.0
CD C:GLU211 3.1 53.4 1.0
CG C:ASP213 3.1 46.8 1.0
CG C:ASP307 3.2 60.7 1.0
P2 C:OKR601 3.2 50.4 1.0
OE1 C:GLU211 3.6 54.8 1.0
OD2 C:ASP213 3.6 46.6 1.0
O7 C:OKR601 3.7 55.4 1.0
MN C:MN604 3.7 55.0 1.0
O8 C:OKR601 3.7 45.8 1.0
CB C:ASP307 3.9 56.2 1.0
OD1 C:ASP307 4.1 54.7 1.0
N1 C:OKR601 4.1 84.4 1.0
O6 C:OKR601 4.3 70.3 1.0
CB C:ASP213 4.3 49.0 1.0
CG C:GLU211 4.4 50.7 1.0
O10 C:OKR601 4.7 49.1 1.0
O14 C:OKR601 4.8 53.7 1.0
C1 C:OKR601 4.9 95.2 1.0

Manganese binding site 4 out of 4 in 7uzr

Go back to Manganese Binding Sites List in 7uzr
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:55.0
occ:1.00
 OE1 C:GLU211 2.0 54.8 1.0
OD2 C:ASP213 2.0 46.6 1.0
O9 C:OKR601 2.1 56.7 1.0
O C:HOH701 2.1 38.0 1.0
O14 C:OKR601 2.1 53.7 1.0
O12 C:OKR601 2.5 52.4 1.0
CD C:GLU211 2.9 53.4 1.0
CG C:ASP213 3.0 46.8 1.0
P2 C:OKR601 3.2 50.4 1.0
O10 C:OKR601 3.2 49.1 1.0
P3 C:OKR601 3.3 44.5 1.0
OE2 C:GLU211 3.3 47.5 1.0
OD1 C:ASP213 3.3 48.0 1.0
P4 C:OKR601 3.4 46.3 1.0
O13 C:OKR601 3.5 49.1 1.0
MN C:MN603 3.7 55.0 1.0
OG C:SER199 3.8 49.9 1.0
O16 C:OKR601 4.0 45.4 1.0
N1 C:OKR601 4.1 84.4 1.0
O8 C:OKR601 4.2 45.8 1.0
CG C:GLU211 4.3 50.7 1.0
N C:SER199 4.3 41.7 1.0
O7 C:OKR601 4.3 55.4 1.0
CB C:ASP213 4.4 49.0 1.0
O C:HOH707 4.5 37.9 1.0
O15 C:OKR601 4.6 45.4 1.0
CB C:GLU211 4.6 51.0 1.0
O C:GLU211 4.7 51.5 1.0
CB C:SER199 4.7 41.6 1.0
O11 C:OKR601 4.7 57.6 1.0
C C:GLU211 4.8 53.9 1.0
CA C:GLY198 4.8 41.9 1.0
N C:ASP213 4.9 51.3 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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