Magnesium in PDB 9cdb: Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA6 (Partial Density) Bound Form with Atp (Partial Density).
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA6 (Partial Density) Bound Form with Atp (Partial Density).
(pdb code 9cdb). 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 CA6 (Partial Density) Bound Form with Atp (Partial Density)., PDB code: 9cdb:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
Magnesium binding site 1 out
of 6 in 9cdb
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Magnesium Binding Sites List in 9cdb
Magnesium binding site 1 out
of 6 in the Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA6 (Partial Density) Bound Form with Atp (Partial Density).
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 CA6 (Partial Density) Bound Form with Atp (Partial Density). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg703
b:81.7
occ:1.00
|
NE2
|
A:HIS243
|
2.1
|
73.4
|
1.0
|
OD1
|
A:ASP533
|
2.1
|
84.6
|
1.0
|
NE2
|
A:HIS245
|
2.1
|
83.3
|
1.0
|
CD2
|
A:HIS245
|
2.8
|
83.3
|
1.0
|
CE1
|
A:HIS243
|
2.8
|
73.4
|
1.0
|
NE2
|
A:HIS448
|
2.9
|
93.7
|
1.0
|
CG
|
A:ASP533
|
3.2
|
84.6
|
1.0
|
CD2
|
A:HIS243
|
3.2
|
73.4
|
1.0
|
CE1
|
A:HIS245
|
3.3
|
83.3
|
1.0
|
OD2
|
A:ASP533
|
3.7
|
84.6
|
1.0
|
CD2
|
A:HIS448
|
3.8
|
93.7
|
1.0
|
CE1
|
A:HIS448
|
3.8
|
93.7
|
1.0
|
ND1
|
A:HIS243
|
4.0
|
73.4
|
1.0
|
CG
|
A:HIS245
|
4.1
|
83.3
|
1.0
|
NE2
|
A:HIS472
|
4.1
|
83.7
|
1.0
|
CG
|
A:HIS243
|
4.3
|
73.4
|
1.0
|
ND1
|
A:HIS245
|
4.3
|
83.3
|
1.0
|
CB
|
A:ASP533
|
4.5
|
84.6
|
1.0
|
CE1
|
A:HIS472
|
4.5
|
83.7
|
1.0
|
CA
|
A:ASP533
|
4.6
|
84.6
|
1.0
|
OD1
|
A:ASN534
|
4.7
|
94.4
|
1.0
|
ND1
|
A:HIS448
|
4.9
|
93.7
|
1.0
|
CG
|
A:HIS448
|
4.9
|
93.7
|
1.0
|
|
Magnesium binding site 2 out
of 6 in 9cdb
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Magnesium Binding Sites List in 9cdb
Magnesium binding site 2 out
of 6 in the Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA6 (Partial Density) Bound Form with Atp (Partial Density).
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 CA6 (Partial Density) Bound Form with Atp (Partial Density). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg703
b:92.2
occ:1.00
|
NE2
|
B:HIS245
|
2.1
|
87.3
|
1.0
|
NE2
|
B:HIS243
|
2.1
|
81.1
|
1.0
|
OD1
|
B:ASP533
|
2.2
|
94.8
|
1.0
|
CE1
|
B:HIS448
|
2.6
|
99.8
|
1.0
|
CE1
|
B:HIS243
|
2.8
|
81.1
|
1.0
|
CE1
|
B:HIS245
|
2.8
|
87.3
|
1.0
|
NE2
|
B:HIS448
|
2.8
|
99.8
|
1.0
|
CG
|
B:ASP533
|
3.1
|
94.8
|
1.0
|
CD2
|
B:HIS243
|
3.2
|
81.1
|
1.0
|
CD2
|
B:HIS245
|
3.3
|
87.3
|
1.0
|
OD2
|
B:ASP533
|
3.4
|
94.8
|
1.0
|
ND1
|
B:HIS448
|
3.9
|
99.8
|
1.0
|
ND1
|
B:HIS243
|
3.9
|
81.1
|
1.0
|
NE2
|
B:HIS472
|
4.0
|
91.7
|
1.0
|
ND1
|
B:HIS245
|
4.0
|
87.3
|
1.0
|
CG
|
B:HIS243
|
4.1
|
81.1
|
1.0
|
CD2
|
B:HIS448
|
4.2
|
99.8
|
1.0
|
CG
|
B:HIS245
|
4.3
|
87.3
|
1.0
|
CB
|
B:ASP533
|
4.4
|
94.8
|
1.0
|
C6
|
B:ATP702
|
4.6
|
154.3
|
1.0
|
N6
|
B:ATP702
|
4.6
|
154.3
|
1.0
|
CG
|
B:HIS448
|
4.7
|
99.8
|
1.0
|
CE1
|
B:HIS472
|
4.8
|
91.7
|
1.0
|
CA
|
B:ASP533
|
4.8
|
94.8
|
1.0
|
N1
|
B:ATP702
|
4.8
|
154.3
|
1.0
|
ND2
|
B:ASN534
|
4.8
|
103.7
|
1.0
|
NH1
|
B:ARG333
|
4.9
|
76.0
|
1.0
|
|
Magnesium binding site 3 out
of 6 in 9cdb
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Magnesium Binding Sites List in 9cdb
Magnesium binding site 3 out
of 6 in the Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA6 (Partial Density) Bound Form with Atp (Partial Density).
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 CA6 (Partial Density) Bound Form with Atp (Partial Density). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg703
b:75.3
occ:1.00
|
NE2
|
C:HIS245
|
2.1
|
82.6
|
1.0
|
NE2
|
C:HIS243
|
2.1
|
73.6
|
1.0
|
OD1
|
C:ASP533
|
2.5
|
88.0
|
1.0
|
CE1
|
C:HIS245
|
2.7
|
82.6
|
1.0
|
CE1
|
C:HIS243
|
2.9
|
73.6
|
1.0
|
NE2
|
C:HIS448
|
3.0
|
92.0
|
1.0
|
CD2
|
C:HIS243
|
3.2
|
73.6
|
1.0
|
CD2
|
C:HIS245
|
3.3
|
82.6
|
1.0
|
CD2
|
C:HIS448
|
3.3
|
92.0
|
1.0
|
CG
|
C:ASP533
|
3.6
|
88.0
|
1.0
|
ND1
|
C:HIS245
|
4.0
|
82.6
|
1.0
|
OD2
|
C:ASP533
|
4.0
|
88.0
|
1.0
|
ND1
|
C:HIS243
|
4.1
|
73.6
|
1.0
|
CG
|
C:HIS245
|
4.2
|
82.6
|
1.0
|
CE1
|
C:HIS448
|
4.3
|
92.0
|
1.0
|
CE1
|
C:HIS472
|
4.3
|
82.0
|
1.0
|
CG
|
C:HIS243
|
4.3
|
73.6
|
1.0
|
NE2
|
C:HIS472
|
4.4
|
82.0
|
1.0
|
CG
|
C:HIS448
|
4.7
|
92.0
|
1.0
|
CB
|
C:ASP533
|
4.9
|
88.0
|
1.0
|
|
Magnesium binding site 4 out
of 6 in 9cdb
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Magnesium Binding Sites List in 9cdb
Magnesium binding site 4 out
of 6 in the Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA6 (Partial Density) Bound Form with Atp (Partial Density).
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 CA6 (Partial Density) Bound Form with Atp (Partial Density). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg703
b:87.7
occ:1.00
|
OD1
|
D:ASP533
|
2.0
|
89.6
|
1.0
|
NE2
|
D:HIS448
|
2.0
|
98.1
|
1.0
|
NE2
|
D:HIS245
|
2.1
|
82.6
|
1.0
|
NE2
|
D:HIS243
|
2.1
|
77.7
|
1.0
|
CE1
|
D:HIS448
|
2.7
|
98.1
|
1.0
|
CE1
|
D:HIS243
|
2.8
|
77.7
|
1.0
|
CE1
|
D:HIS245
|
2.9
|
82.6
|
1.0
|
CG
|
D:ASP533
|
3.0
|
89.6
|
1.0
|
CD2
|
D:HIS245
|
3.2
|
82.6
|
1.0
|
CD2
|
D:HIS243
|
3.2
|
77.7
|
1.0
|
CD2
|
D:HIS448
|
3.3
|
98.1
|
1.0
|
OD2
|
D:ASP533
|
3.4
|
89.6
|
1.0
|
ND1
|
D:HIS448
|
3.9
|
98.1
|
1.0
|
ND1
|
D:HIS243
|
4.0
|
77.7
|
1.0
|
ND1
|
D:HIS245
|
4.0
|
82.6
|
1.0
|
NE2
|
D:HIS472
|
4.2
|
90.0
|
1.0
|
CG
|
D:HIS243
|
4.2
|
77.7
|
1.0
|
CG
|
D:HIS448
|
4.2
|
98.1
|
1.0
|
CG
|
D:HIS245
|
4.2
|
82.6
|
1.0
|
CB
|
D:ASP533
|
4.3
|
89.6
|
1.0
|
NH1
|
D:ARG333
|
4.5
|
73.4
|
1.0
|
CA
|
D:ASP533
|
4.6
|
89.6
|
1.0
|
CE1
|
D:HIS472
|
4.8
|
90.0
|
1.0
|
N1
|
D:ATP702
|
4.8
|
166.2
|
1.0
|
ND2
|
D:ASN534
|
4.9
|
98.7
|
1.0
|
C2
|
D:ATP702
|
5.0
|
166.2
|
1.0
|
|
Magnesium binding site 5 out
of 6 in 9cdb
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Magnesium Binding Sites List in 9cdb
Magnesium binding site 5 out
of 6 in the Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA6 (Partial Density) Bound Form with Atp (Partial Density).
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 CA6 (Partial Density) Bound Form with Atp (Partial Density). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg703
b:83.8
occ:1.00
|
NE2
|
E:HIS245
|
2.1
|
84.4
|
1.0
|
NE2
|
E:HIS243
|
2.1
|
75.7
|
1.0
|
CE1
|
E:HIS448
|
2.3
|
87.9
|
1.0
|
OD1
|
E:ASP533
|
2.7
|
89.0
|
1.0
|
CE1
|
E:HIS243
|
2.8
|
75.7
|
1.0
|
CE1
|
E:HIS245
|
3.0
|
84.4
|
1.0
|
NE2
|
E:HIS448
|
3.1
|
87.9
|
1.0
|
CD2
|
E:HIS245
|
3.1
|
84.4
|
1.0
|
ND1
|
E:HIS448
|
3.3
|
87.9
|
1.0
|
CD2
|
E:HIS243
|
3.3
|
75.7
|
1.0
|
CG
|
E:ASP533
|
3.7
|
89.0
|
1.0
|
OD2
|
E:ASP533
|
4.0
|
89.0
|
1.0
|
ND1
|
E:HIS243
|
4.0
|
75.7
|
1.0
|
CE1
|
E:HIS472
|
4.1
|
81.9
|
1.0
|
ND1
|
E:HIS245
|
4.2
|
84.4
|
1.0
|
CG
|
E:HIS245
|
4.3
|
84.4
|
1.0
|
CD2
|
E:HIS448
|
4.3
|
87.9
|
1.0
|
CG
|
E:HIS243
|
4.3
|
75.7
|
1.0
|
N6
|
E:ATP702
|
4.3
|
160.1
|
1.0
|
CG
|
E:HIS448
|
4.4
|
87.9
|
1.0
|
NE2
|
E:HIS472
|
4.4
|
81.9
|
1.0
|
|
Magnesium binding site 6 out
of 6 in 9cdb
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Magnesium Binding Sites List in 9cdb
Magnesium binding site 6 out
of 6 in the Cryoem Structure of Crispr Associated Effector, Carf-Adenosine Deaminase 1, CAD1, in CA6 (Partial Density) Bound Form with Atp (Partial Density).
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 CA6 (Partial Density) Bound Form with Atp (Partial Density). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg703
b:83.4
occ:1.00
|
OD1
|
F:ASP533
|
2.0
|
91.1
|
1.0
|
NE2
|
F:HIS245
|
2.1
|
84.0
|
1.0
|
NE2
|
F:HIS243
|
2.1
|
77.9
|
1.0
|
CE1
|
F:HIS243
|
2.8
|
77.9
|
1.0
|
NE2
|
F:HIS448
|
2.9
|
98.9
|
1.0
|
CE1
|
F:HIS245
|
2.9
|
84.0
|
1.0
|
CG
|
F:ASP533
|
3.2
|
91.1
|
1.0
|
CD2
|
F:HIS245
|
3.2
|
84.0
|
1.0
|
CD2
|
F:HIS243
|
3.3
|
77.9
|
1.0
|
CE1
|
F:HIS448
|
3.7
|
98.9
|
1.0
|
OD2
|
F:ASP533
|
3.7
|
91.1
|
1.0
|
CD2
|
F:HIS448
|
3.9
|
98.9
|
1.0
|
ND1
|
F:HIS243
|
4.0
|
77.9
|
1.0
|
ND1
|
F:HIS245
|
4.1
|
84.0
|
1.0
|
NE2
|
F:HIS472
|
4.2
|
90.1
|
1.0
|
NH1
|
F:ARG333
|
4.2
|
76.2
|
1.0
|
CG
|
F:HIS245
|
4.3
|
84.0
|
1.0
|
CG
|
F:HIS243
|
4.3
|
77.9
|
1.0
|
CB
|
F:ASP533
|
4.4
|
91.1
|
1.0
|
CE1
|
F:HIS472
|
4.5
|
90.1
|
1.0
|
CA
|
F:ASP533
|
4.9
|
91.1
|
1.0
|
ND1
|
F:HIS448
|
4.9
|
98.9
|
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
|