Magnesium in PDB 9c77: Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA4 Bound Form with Atp.
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA4 Bound Form with Atp.
(pdb code 9c77). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the
Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA4 Bound Form with Atp., PDB code: 9c77:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
Magnesium binding site 1 out
of 6 in 9c77
Go back to
Magnesium Binding Sites List in 9c77
Magnesium binding site 1 out
of 6 in the Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA4 Bound Form with Atp.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA4 Bound Form with Atp. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg703
b:122.8
occ:1.00
|
NE2
|
A:HIS243
|
2.1
|
113.4
|
1.0
|
NE2
|
A:HIS245
|
2.1
|
118.8
|
1.0
|
OD1
|
A:ASP533
|
2.4
|
123.0
|
1.0
|
CE1
|
A:HIS448
|
2.4
|
141.1
|
1.0
|
CE1
|
A:HIS243
|
2.9
|
113.8
|
1.0
|
CE1
|
A:HIS245
|
3.0
|
117.7
|
1.0
|
CD2
|
A:HIS245
|
3.2
|
113.5
|
1.0
|
NE2
|
A:HIS448
|
3.2
|
139.8
|
1.0
|
CD2
|
A:HIS243
|
3.2
|
111.2
|
1.0
|
ND1
|
A:HIS448
|
3.3
|
141.9
|
1.0
|
CG
|
A:ASP533
|
3.5
|
125.5
|
1.0
|
N7
|
A:ATP702
|
3.8
|
198.7
|
1.0
|
OD2
|
A:ASP533
|
3.9
|
128.2
|
1.0
|
ND1
|
A:HIS243
|
4.1
|
109.5
|
1.0
|
N6
|
A:ATP702
|
4.1
|
194.5
|
1.0
|
ND1
|
A:HIS245
|
4.2
|
113.5
|
1.0
|
CG
|
A:HIS243
|
4.3
|
106.7
|
1.0
|
CD2
|
A:HIS448
|
4.3
|
136.8
|
1.0
|
CG
|
A:HIS245
|
4.3
|
110.6
|
1.0
|
C5
|
A:ATP702
|
4.3
|
198.4
|
1.0
|
CG
|
A:HIS448
|
4.3
|
137.0
|
1.0
|
NE2
|
A:HIS472
|
4.4
|
128.8
|
1.0
|
C6
|
A:ATP702
|
4.5
|
197.1
|
1.0
|
C8
|
A:ATP702
|
4.6
|
197.9
|
1.0
|
CE1
|
A:HIS472
|
4.8
|
125.6
|
1.0
|
CB
|
A:ASP533
|
4.8
|
121.0
|
1.0
|
CA
|
A:ASP533
|
4.9
|
119.2
|
1.0
|
NE
|
A:ARG333
|
4.9
|
110.7
|
1.0
|
|
Magnesium binding site 2 out
of 6 in 9c77
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Magnesium Binding Sites List in 9c77
Magnesium binding site 2 out
of 6 in the Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA4 Bound Form with Atp.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA4 Bound Form with Atp. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg703
b:108.0
occ:1.00
|
OD1
|
B:ASP533
|
2.0
|
125.8
|
1.0
|
NE2
|
B:HIS243
|
2.1
|
109.7
|
1.0
|
NE2
|
B:HIS448
|
2.1
|
123.1
|
1.0
|
NE2
|
B:HIS245
|
2.1
|
101.6
|
1.0
|
CE1
|
B:HIS448
|
2.6
|
124.0
|
1.0
|
CD2
|
B:HIS245
|
2.9
|
99.1
|
1.0
|
CE1
|
B:HIS243
|
2.9
|
109.0
|
1.0
|
CD2
|
B:HIS243
|
3.1
|
106.5
|
1.0
|
CG
|
B:ASP533
|
3.2
|
128.2
|
1.0
|
CE1
|
B:HIS245
|
3.2
|
102.0
|
1.0
|
CD2
|
B:HIS448
|
3.3
|
118.5
|
1.0
|
OD2
|
B:ASP533
|
3.7
|
132.9
|
1.0
|
ND1
|
B:HIS448
|
3.9
|
126.3
|
1.0
|
ND1
|
B:HIS243
|
4.1
|
107.3
|
1.0
|
CG
|
B:HIS245
|
4.1
|
96.2
|
1.0
|
CG
|
B:HIS243
|
4.2
|
100.6
|
1.0
|
ND1
|
B:HIS245
|
4.2
|
97.7
|
1.0
|
CG
|
B:HIS448
|
4.2
|
119.8
|
1.0
|
NE2
|
B:HIS472
|
4.2
|
113.7
|
1.0
|
CB
|
B:ASP533
|
4.4
|
121.8
|
1.0
|
CA
|
B:ASP533
|
4.7
|
121.8
|
1.0
|
N7
|
B:ATP702
|
4.8
|
176.9
|
1.0
|
N6
|
B:ATP702
|
4.9
|
174.3
|
1.0
|
CE1
|
B:HIS472
|
4.9
|
116.4
|
1.0
|
|
Magnesium binding site 3 out
of 6 in 9c77
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Magnesium Binding Sites List in 9c77
Magnesium binding site 3 out
of 6 in the Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA4 Bound Form with Atp.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA4 Bound Form with Atp. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg703
b:101.0
occ:1.00
|
OD1
|
C:ASP533
|
2.1
|
126.4
|
1.0
|
NE2
|
C:HIS245
|
2.1
|
106.3
|
1.0
|
NE2
|
C:HIS243
|
2.2
|
120.1
|
1.0
|
CE1
|
C:HIS448
|
2.3
|
147.5
|
1.0
|
CE1
|
C:HIS245
|
3.0
|
107.2
|
1.0
|
NE2
|
C:HIS448
|
3.1
|
149.6
|
1.0
|
CE1
|
C:HIS243
|
3.2
|
116.6
|
1.0
|
CD2
|
C:HIS245
|
3.2
|
106.6
|
1.0
|
CG
|
C:ASP533
|
3.2
|
129.1
|
1.0
|
CD2
|
C:HIS243
|
3.2
|
112.3
|
1.0
|
ND1
|
C:HIS448
|
3.4
|
149.0
|
1.0
|
OD2
|
C:ASP533
|
3.6
|
132.0
|
1.0
|
ND1
|
C:HIS245
|
4.2
|
104.9
|
1.0
|
NE2
|
C:HIS472
|
4.3
|
127.3
|
1.0
|
CG
|
C:HIS245
|
4.3
|
108.8
|
1.0
|
ND1
|
C:HIS243
|
4.3
|
113.6
|
1.0
|
CG
|
C:HIS243
|
4.3
|
106.1
|
1.0
|
CD2
|
C:HIS448
|
4.4
|
152.9
|
1.0
|
CB
|
C:ASP533
|
4.5
|
122.5
|
1.0
|
N7
|
C:ATP702
|
4.5
|
222.3
|
1.0
|
CG
|
C:HIS448
|
4.5
|
151.4
|
1.0
|
CE1
|
C:HIS472
|
4.6
|
124.5
|
1.0
|
CA
|
C:ASP533
|
4.6
|
121.5
|
1.0
|
C5
|
C:ATP702
|
4.7
|
224.7
|
1.0
|
N6
|
C:ATP702
|
4.9
|
220.0
|
1.0
|
C6
|
C:ATP702
|
5.0
|
223.6
|
1.0
|
NE
|
C:ARG333
|
5.0
|
107.2
|
1.0
|
|
Magnesium binding site 4 out
of 6 in 9c77
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Magnesium Binding Sites List in 9c77
Magnesium binding site 4 out
of 6 in the Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA4 Bound Form with Atp.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA4 Bound Form with Atp. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg703
b:112.8
occ:1.00
|
NE2
|
D:HIS243
|
2.1
|
107.5
|
1.0
|
NE2
|
D:HIS245
|
2.1
|
105.1
|
1.0
|
NE2
|
D:HIS448
|
2.1
|
125.8
|
1.0
|
OD1
|
D:ASP533
|
2.2
|
123.6
|
1.0
|
CE1
|
D:HIS243
|
2.8
|
105.5
|
1.0
|
CE1
|
D:HIS245
|
3.0
|
103.7
|
1.0
|
CE1
|
D:HIS448
|
3.0
|
121.8
|
1.0
|
CD2
|
D:HIS448
|
3.1
|
127.2
|
1.0
|
CD2
|
D:HIS245
|
3.1
|
104.2
|
1.0
|
CD2
|
D:HIS243
|
3.2
|
106.0
|
1.0
|
N6
|
D:ATP702
|
3.3
|
167.7
|
1.0
|
CG
|
D:ASP533
|
3.4
|
125.6
|
1.0
|
C6
|
D:ATP702
|
3.8
|
167.7
|
1.0
|
OD2
|
D:ASP533
|
4.0
|
130.1
|
1.0
|
ND1
|
D:HIS243
|
4.0
|
103.3
|
1.0
|
C5
|
D:ATP702
|
4.1
|
169.8
|
1.0
|
N7
|
D:ATP702
|
4.1
|
169.9
|
1.0
|
ND1
|
D:HIS245
|
4.1
|
102.0
|
1.0
|
NE2
|
D:HIS472
|
4.2
|
114.6
|
1.0
|
ND1
|
D:HIS448
|
4.2
|
120.6
|
1.0
|
CG
|
D:HIS245
|
4.2
|
103.9
|
1.0
|
CG
|
D:HIS448
|
4.2
|
123.4
|
1.0
|
CG
|
D:HIS243
|
4.2
|
99.4
|
1.0
|
NH1
|
D:ARG333
|
4.4
|
105.6
|
1.0
|
N1
|
D:ATP702
|
4.6
|
166.1
|
1.0
|
CB
|
D:ASP533
|
4.6
|
118.3
|
1.0
|
CE1
|
D:HIS472
|
5.0
|
114.5
|
1.0
|
CA
|
D:ASP533
|
5.0
|
118.0
|
1.0
|
|
Magnesium binding site 5 out
of 6 in 9c77
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Magnesium Binding Sites List in 9c77
Magnesium binding site 5 out
of 6 in the Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA4 Bound Form with Atp.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA4 Bound Form with Atp. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg703
b:91.6
occ:1.00
|
NE2
|
E:HIS243
|
2.1
|
112.3
|
1.0
|
NE2
|
E:HIS245
|
2.1
|
95.2
|
1.0
|
CE1
|
E:HIS448
|
2.2
|
120.4
|
1.0
|
OD1
|
E:ASP533
|
2.4
|
130.6
|
1.0
|
CE1
|
E:HIS243
|
3.0
|
112.0
|
1.0
|
NE2
|
E:HIS448
|
3.0
|
119.0
|
1.0
|
CE1
|
E:HIS245
|
3.1
|
98.0
|
1.0
|
CD2
|
E:HIS245
|
3.1
|
91.9
|
1.0
|
CD2
|
E:HIS243
|
3.1
|
106.0
|
1.0
|
ND1
|
E:HIS448
|
3.3
|
125.2
|
1.0
|
CG
|
E:ASP533
|
3.5
|
132.0
|
1.0
|
OD2
|
E:ASP533
|
3.9
|
133.1
|
1.0
|
ND1
|
E:HIS243
|
4.1
|
107.9
|
1.0
|
ND1
|
E:HIS245
|
4.2
|
95.3
|
1.0
|
CD2
|
E:HIS448
|
4.2
|
119.7
|
1.0
|
CG
|
E:HIS243
|
4.2
|
96.4
|
1.0
|
CE1
|
E:HIS472
|
4.2
|
122.8
|
1.0
|
CG
|
E:HIS245
|
4.2
|
92.0
|
1.0
|
CG
|
E:HIS448
|
4.3
|
120.7
|
1.0
|
N6
|
E:ATP702
|
4.3
|
167.2
|
1.0
|
N7
|
E:ATP702
|
4.4
|
170.9
|
1.0
|
NE2
|
E:HIS472
|
4.6
|
122.2
|
1.0
|
CB
|
E:ASP533
|
4.7
|
127.6
|
1.0
|
C5
|
E:ATP702
|
4.8
|
168.7
|
1.0
|
C6
|
E:ATP702
|
4.8
|
166.6
|
1.0
|
CA
|
E:ASP533
|
4.9
|
125.0
|
1.0
|
|
Magnesium binding site 6 out
of 6 in 9c77
Go back to
Magnesium Binding Sites List in 9c77
Magnesium binding site 6 out
of 6 in the Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA4 Bound Form with Atp.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA4 Bound Form with Atp. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg703
b:119.2
occ:1.00
|
OD1
|
F:ASP533
|
2.0
|
120.2
|
1.0
|
NE2
|
F:HIS243
|
2.1
|
117.0
|
1.0
|
NE2
|
F:HIS245
|
2.1
|
111.4
|
1.0
|
NE2
|
F:HIS448
|
2.6
|
140.5
|
1.0
|
CE1
|
F:HIS243
|
2.9
|
115.0
|
1.0
|
CE1
|
F:HIS448
|
3.0
|
138.8
|
1.0
|
CD2
|
F:HIS245
|
3.1
|
108.2
|
1.0
|
CE1
|
F:HIS245
|
3.1
|
111.2
|
1.0
|
CD2
|
F:HIS243
|
3.1
|
111.1
|
1.0
|
CG
|
F:ASP533
|
3.2
|
122.1
|
1.0
|
OD2
|
F:ASP533
|
3.8
|
126.8
|
1.0
|
N6
|
F:ATP702
|
3.9
|
178.7
|
1.0
|
CD2
|
F:HIS448
|
3.9
|
139.9
|
1.0
|
ND1
|
F:HIS243
|
4.0
|
107.0
|
1.0
|
CG
|
F:HIS243
|
4.2
|
103.5
|
1.0
|
ND1
|
F:HIS245
|
4.2
|
111.9
|
1.0
|
CG
|
F:HIS245
|
4.2
|
106.3
|
1.0
|
NE2
|
F:HIS472
|
4.3
|
125.3
|
1.0
|
NH1
|
F:ARG333
|
4.3
|
111.0
|
1.0
|
ND1
|
F:HIS448
|
4.3
|
140.2
|
1.0
|
N7
|
F:ATP702
|
4.4
|
181.4
|
1.0
|
CB
|
F:ASP533
|
4.4
|
117.7
|
1.0
|
C6
|
F:ATP702
|
4.5
|
180.1
|
1.0
|
C5
|
F:ATP702
|
4.6
|
182.4
|
1.0
|
CA
|
F:ASP533
|
4.7
|
120.3
|
1.0
|
CG
|
F:HIS448
|
4.8
|
140.1
|
1.0
|
CE1
|
F:HIS472
|
4.8
|
122.8
|
1.0
|
|
Reference:
P.Majumder,
D.J.Patel,
C.F.Baca,
L.A.Marraffini,
J.H.Hickling,
L.Ye,
S.F.Brady,
M.Teplova.
The Crispr Associated Adenosine Deaminase CAD1 Converts Atp to Itp to Provide Antiviral Immunity Cell(Cambridge,Mass.) 2024.
ISSN: ISSN 0092-8674
DOI: 10.1016/J.CELL.2024.10.002
Page generated: Wed Nov 13 12:46:59 2024
|