Manganese in PDB 7utt: Structure of Non-Hydrolyzable Atp (Apcpp) Binds to Cyclic Gmp Amp Synthase (Cgas) Through Mn Coordination
Enzymatic activity of Structure of Non-Hydrolyzable Atp (Apcpp) Binds to Cyclic Gmp Amp Synthase (Cgas) Through Mn Coordination
All present enzymatic activity of Structure of Non-Hydrolyzable Atp (Apcpp) Binds to Cyclic Gmp Amp Synthase (Cgas) Through Mn Coordination:
2.7.7.86;
Protein crystallography data
The structure of Structure of Non-Hydrolyzable Atp (Apcpp) Binds to Cyclic Gmp Amp Synthase (Cgas) Through Mn Coordination, PDB code: 7utt
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)
|
29.67 /
2.04
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
77.093,
97.882,
142.271,
90,
90,
90
|
R / Rfree (%)
|
18.1 /
21
|
Other elements in 7utt:
The structure of Structure of Non-Hydrolyzable Atp (Apcpp) Binds to Cyclic Gmp Amp Synthase (Cgas) Through Mn Coordination also contains other interesting chemical elements:
Manganese Binding Sites:
The binding sites of Manganese atom in the Structure of Non-Hydrolyzable Atp (Apcpp) Binds to Cyclic Gmp Amp Synthase (Cgas) Through Mn Coordination
(pdb code 7utt). 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 Non-Hydrolyzable Atp (Apcpp) Binds to Cyclic Gmp Amp Synthase (Cgas) Through Mn Coordination, PDB code: 7utt:
Jump to Manganese binding site number:
1;
2;
3;
4;
Manganese binding site 1 out
of 4 in 7utt
Go back to
Manganese Binding Sites List in 7utt
Manganese binding site 1 out
of 4 in the Structure of Non-Hydrolyzable Atp (Apcpp) Binds to Cyclic Gmp Amp Synthase (Cgas) Through Mn Coordination
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Structure of Non-Hydrolyzable Atp (Apcpp) Binds to Cyclic Gmp Amp Synthase (Cgas) Through Mn Coordination within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn603
b:28.6
occ:1.00
|
OE2
|
A:GLU211
|
2.1
|
29.4
|
1.0
|
O
|
A:HOH768
|
2.1
|
32.4
|
1.0
|
OD1
|
A:ASP213
|
2.1
|
27.6
|
1.0
|
O
|
A:HOH732
|
2.2
|
25.1
|
1.0
|
O1A
|
A:APC601
|
2.2
|
26.1
|
1.0
|
OD2
|
A:ASP307
|
2.3
|
29.4
|
1.0
|
CG
|
A:ASP213
|
3.1
|
25.4
|
1.0
|
CD
|
A:GLU211
|
3.1
|
29.5
|
1.0
|
CG
|
A:ASP307
|
3.3
|
31.4
|
1.0
|
PA
|
A:APC601
|
3.3
|
30.9
|
1.0
|
OE1
|
A:GLU211
|
3.5
|
27.5
|
1.0
|
OD2
|
A:ASP213
|
3.5
|
26.1
|
1.0
|
MN
|
A:MN604
|
3.6
|
26.6
|
1.0
|
O2A
|
A:APC601
|
3.6
|
30.5
|
1.0
|
O
|
A:HOH794
|
3.8
|
49.9
|
1.0
|
CB
|
A:ASP307
|
3.9
|
27.7
|
1.0
|
O5'
|
A:APC601
|
4.0
|
27.3
|
1.0
|
O
|
A:HOH776
|
4.2
|
42.9
|
1.0
|
OD1
|
A:ASP307
|
4.3
|
32.9
|
1.0
|
C5'
|
A:APC601
|
4.3
|
27.6
|
1.0
|
CB
|
A:ASP213
|
4.4
|
27.4
|
1.0
|
CG
|
A:GLU211
|
4.5
|
29.2
|
1.0
|
C3A
|
A:APC601
|
4.6
|
28.6
|
1.0
|
O3G
|
A:APC601
|
4.8
|
27.8
|
1.0
|
|
Manganese binding site 2 out
of 4 in 7utt
Go back to
Manganese Binding Sites List in 7utt
Manganese binding site 2 out
of 4 in the Structure of Non-Hydrolyzable Atp (Apcpp) Binds to Cyclic Gmp Amp Synthase (Cgas) Through Mn Coordination
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Structure of Non-Hydrolyzable Atp (Apcpp) Binds to Cyclic Gmp Amp Synthase (Cgas) Through Mn Coordination within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn604
b:26.6
occ:1.00
|
OE1
|
A:GLU211
|
2.2
|
27.5
|
1.0
|
OD2
|
A:ASP213
|
2.2
|
26.1
|
1.0
|
O3G
|
A:APC601
|
2.2
|
27.8
|
1.0
|
O1B
|
A:APC601
|
2.3
|
20.0
|
1.0
|
O1A
|
A:APC601
|
2.3
|
26.1
|
1.0
|
O
|
A:HOH717
|
2.3
|
24.8
|
1.0
|
CD
|
A:GLU211
|
3.2
|
29.5
|
1.0
|
CG
|
A:ASP213
|
3.2
|
25.4
|
1.0
|
C3A
|
A:APC601
|
3.3
|
28.6
|
1.0
|
PB
|
A:APC601
|
3.3
|
26.0
|
1.0
|
PA
|
A:APC601
|
3.4
|
30.9
|
1.0
|
PG
|
A:APC601
|
3.4
|
27.6
|
1.0
|
OE2
|
A:GLU211
|
3.5
|
29.4
|
1.0
|
OD1
|
A:ASP213
|
3.5
|
27.6
|
1.0
|
MN
|
A:MN603
|
3.6
|
28.6
|
1.0
|
O3B
|
A:APC601
|
3.7
|
27.8
|
1.0
|
O
|
A:HOH794
|
3.7
|
49.9
|
1.0
|
OG
|
A:SER199
|
3.9
|
26.2
|
1.0
|
C5'
|
A:APC601
|
4.2
|
27.6
|
1.0
|
O
|
A:HOH749
|
4.2
|
26.0
|
1.0
|
N
|
A:SER199
|
4.2
|
25.3
|
1.0
|
O5'
|
A:APC601
|
4.3
|
27.3
|
1.0
|
O
|
A:GLU211
|
4.3
|
30.4
|
1.0
|
O1G
|
A:APC601
|
4.3
|
28.0
|
1.0
|
CG
|
A:GLU211
|
4.4
|
29.2
|
1.0
|
CB
|
A:ASP213
|
4.5
|
27.4
|
1.0
|
O2G
|
A:APC601
|
4.6
|
26.3
|
1.0
|
O2B
|
A:APC601
|
4.6
|
23.4
|
1.0
|
O2A
|
A:APC601
|
4.6
|
30.5
|
1.0
|
O
|
A:HOH732
|
4.6
|
25.1
|
1.0
|
C
|
A:GLU211
|
4.7
|
31.3
|
1.0
|
CB
|
A:GLU211
|
4.7
|
33.0
|
1.0
|
CA
|
A:GLY198
|
4.8
|
27.3
|
1.0
|
CB
|
A:SER199
|
4.8
|
24.5
|
1.0
|
C
|
A:GLY198
|
5.0
|
28.0
|
1.0
|
N
|
A:ASP213
|
5.0
|
23.5
|
1.0
|
O
|
A:HOH768
|
5.0
|
32.4
|
1.0
|
|
Manganese binding site 3 out
of 4 in 7utt
Go back to
Manganese Binding Sites List in 7utt
Manganese binding site 3 out
of 4 in the Structure of Non-Hydrolyzable Atp (Apcpp) Binds to Cyclic Gmp Amp Synthase (Cgas) Through Mn Coordination
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Structure of Non-Hydrolyzable Atp (Apcpp) Binds to Cyclic Gmp Amp Synthase (Cgas) Through Mn Coordination within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn603
b:30.5
occ:1.00
|
O
|
C:HOH751
|
2.1
|
32.9
|
1.0
|
OE2
|
C:GLU211
|
2.1
|
30.5
|
1.0
|
OD2
|
C:ASP307
|
2.1
|
31.0
|
1.0
|
OD1
|
C:ASP213
|
2.2
|
27.7
|
1.0
|
O1A
|
C:APC601
|
2.3
|
29.3
|
1.0
|
O
|
C:HOH720
|
2.3
|
31.7
|
1.0
|
CD
|
C:GLU211
|
3.1
|
33.4
|
1.0
|
CG
|
C:ASP213
|
3.2
|
29.9
|
1.0
|
CG
|
C:ASP307
|
3.2
|
34.2
|
1.0
|
PA
|
C:APC601
|
3.4
|
31.4
|
1.0
|
OE1
|
C:GLU211
|
3.5
|
34.0
|
1.0
|
OD2
|
C:ASP213
|
3.6
|
30.1
|
1.0
|
MN
|
C:MN604
|
3.6
|
28.1
|
1.0
|
O2A
|
C:APC601
|
3.6
|
33.4
|
1.0
|
CB
|
C:ASP307
|
3.8
|
31.5
|
1.0
|
O
|
C:HOH762
|
3.9
|
42.3
|
1.0
|
O5'
|
C:APC601
|
4.0
|
30.6
|
1.0
|
OD1
|
C:ASP307
|
4.3
|
34.1
|
1.0
|
C5'
|
C:APC601
|
4.3
|
30.0
|
1.0
|
CB
|
C:ASP213
|
4.5
|
28.4
|
1.0
|
CG
|
C:GLU211
|
4.5
|
33.0
|
1.0
|
C3A
|
C:APC601
|
4.7
|
31.1
|
1.0
|
O
|
C:PHE212
|
4.9
|
31.5
|
1.0
|
O3G
|
C:APC601
|
4.9
|
28.4
|
1.0
|
|
Manganese binding site 4 out
of 4 in 7utt
Go back to
Manganese Binding Sites List in 7utt
Manganese binding site 4 out
of 4 in the Structure of Non-Hydrolyzable Atp (Apcpp) Binds to Cyclic Gmp Amp Synthase (Cgas) Through Mn Coordination
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Structure of Non-Hydrolyzable Atp (Apcpp) Binds to Cyclic Gmp Amp Synthase (Cgas) Through Mn Coordination within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn604
b:28.1
occ:1.00
|
OE1
|
C:GLU211
|
2.1
|
34.0
|
1.0
|
OD2
|
C:ASP213
|
2.2
|
30.1
|
1.0
|
O3G
|
C:APC601
|
2.2
|
28.4
|
1.0
|
O1A
|
C:APC601
|
2.2
|
29.3
|
1.0
|
O1B
|
C:APC601
|
2.2
|
27.0
|
1.0
|
O
|
C:HOH706
|
2.4
|
23.4
|
1.0
|
CD
|
C:GLU211
|
3.1
|
33.4
|
1.0
|
CG
|
C:ASP213
|
3.2
|
29.9
|
1.0
|
C3A
|
C:APC601
|
3.3
|
31.1
|
1.0
|
PB
|
C:APC601
|
3.3
|
28.9
|
1.0
|
PA
|
C:APC601
|
3.4
|
31.4
|
1.0
|
OE2
|
C:GLU211
|
3.5
|
30.5
|
1.0
|
OD1
|
C:ASP213
|
3.5
|
27.7
|
1.0
|
PG
|
C:APC601
|
3.5
|
29.2
|
1.0
|
MN
|
C:MN603
|
3.6
|
30.5
|
1.0
|
O3B
|
C:APC601
|
3.8
|
27.6
|
1.0
|
OG
|
C:SER199
|
4.0
|
26.7
|
1.0
|
C5'
|
C:APC601
|
4.1
|
30.0
|
1.0
|
O5'
|
C:APC601
|
4.2
|
30.6
|
1.0
|
N
|
C:SER199
|
4.2
|
28.4
|
1.0
|
O
|
C:GLU211
|
4.3
|
28.6
|
1.0
|
O
|
C:HOH716
|
4.3
|
26.9
|
1.0
|
O1G
|
C:APC601
|
4.4
|
25.5
|
1.0
|
CG
|
C:GLU211
|
4.4
|
33.0
|
1.0
|
CB
|
C:ASP213
|
4.5
|
28.4
|
1.0
|
O2A
|
C:APC601
|
4.6
|
33.4
|
1.0
|
O2G
|
C:APC601
|
4.6
|
29.8
|
1.0
|
O2B
|
C:APC601
|
4.6
|
25.0
|
1.0
|
O
|
C:HOH720
|
4.7
|
31.7
|
1.0
|
CB
|
C:GLU211
|
4.7
|
31.0
|
1.0
|
C
|
C:GLU211
|
4.7
|
30.2
|
1.0
|
CA
|
C:GLY198
|
4.8
|
28.1
|
1.0
|
CB
|
C:SER199
|
4.8
|
23.9
|
1.0
|
O
|
C:HOH751
|
4.9
|
32.9
|
1.0
|
N
|
C:ASP213
|
5.0
|
28.5
|
1.0
|
C
|
C:GLY198
|
5.0
|
28.0
|
1.0
|
|
Reference:
S.Wu,
S.B.Gabelli,
J.S.Sohn.
Structure of Non-Hydrolyzable Atp (Apcpp) Binds to Cyclic Gmp Amp Synthase (Cgas) Through Mn Coordination To Be Published.
Page generated: Sun Oct 6 10:57:04 2024
|