Magnesium in PDB 3fbb: Crystal Structure of the Mimivirus Ndk N62L-R107G Double Mutant Complexed with Udp
Enzymatic activity of Crystal Structure of the Mimivirus Ndk N62L-R107G Double Mutant Complexed with Udp
All present enzymatic activity of Crystal Structure of the Mimivirus Ndk N62L-R107G Double Mutant Complexed with Udp:
2.7.4.6;
Protein crystallography data
The structure of Crystal Structure of the Mimivirus Ndk N62L-R107G Double Mutant Complexed with Udp, PDB code: 3fbb
was solved by
S.Jeudy,
A.Lartigue,
J.M.Claverie,
C.Abergel,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
28.55 /
2.40
|
Space group
|
C 2 2 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
79.676,
152.899,
184.534,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.1 /
22.7
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of the Mimivirus Ndk N62L-R107G Double Mutant Complexed with Udp
(pdb code 3fbb). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the
Crystal Structure of the Mimivirus Ndk N62L-R107G Double Mutant Complexed with Udp, PDB code: 3fbb:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
Magnesium binding site 1 out
of 6 in 3fbb
Go back to
Magnesium Binding Sites List in 3fbb
Magnesium binding site 1 out
of 6 in the Crystal Structure of the Mimivirus Ndk N62L-R107G Double Mutant Complexed with Udp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure of the Mimivirus Ndk N62L-R107G Double Mutant Complexed with Udp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg202
b:59.1
occ:1.00
|
O3B
|
A:UDP201
|
2.5
|
52.8
|
1.0
|
O
|
A:HOH171
|
2.5
|
46.6
|
1.0
|
O1A
|
A:UDP201
|
2.7
|
46.2
|
1.0
|
NH2
|
A:ARG86
|
3.5
|
47.2
|
1.0
|
OD2
|
A:ASP115
|
3.7
|
44.1
|
1.0
|
PB
|
A:UDP201
|
3.9
|
50.0
|
1.0
|
PA
|
A:UDP201
|
4.0
|
55.4
|
1.0
|
O3A
|
A:UDP201
|
4.4
|
54.7
|
1.0
|
CZ
|
A:ARG86
|
4.5
|
51.4
|
1.0
|
CG
|
A:ASP115
|
4.6
|
44.2
|
1.0
|
CE1
|
A:HIS53
|
4.6
|
45.8
|
1.0
|
O2B
|
A:UDP201
|
4.7
|
48.2
|
1.0
|
NE2
|
A:HIS53
|
4.7
|
44.5
|
1.0
|
O1B
|
A:UDP201
|
4.7
|
51.2
|
1.0
|
NH1
|
A:ARG86
|
4.8
|
53.7
|
1.0
|
O2A
|
A:UDP201
|
5.0
|
60.7
|
1.0
|
O
|
A:HOH141
|
5.0
|
40.0
|
1.0
|
C5'
|
A:UDP201
|
5.0
|
49.8
|
1.0
|
|
Magnesium binding site 2 out
of 6 in 3fbb
Go back to
Magnesium Binding Sites List in 3fbb
Magnesium binding site 2 out
of 6 in the Crystal Structure of the Mimivirus Ndk N62L-R107G Double Mutant Complexed with Udp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structure of the Mimivirus Ndk N62L-R107G Double Mutant Complexed with Udp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg202
b:73.3
occ:1.00
|
O3B
|
B:UDP201
|
2.6
|
60.1
|
1.0
|
O1A
|
B:UDP201
|
2.7
|
59.9
|
1.0
|
OD2
|
B:ASP115
|
3.9
|
60.1
|
1.0
|
NH2
|
B:ARG86
|
3.9
|
59.4
|
1.0
|
PB
|
B:UDP201
|
4.0
|
59.7
|
1.0
|
NE2
|
B:HIS53
|
4.0
|
57.5
|
1.0
|
PA
|
B:UDP201
|
4.0
|
68.9
|
1.0
|
O
|
B:HOH178
|
4.2
|
42.4
|
1.0
|
O3A
|
B:UDP201
|
4.4
|
70.0
|
1.0
|
C5'
|
B:UDP201
|
4.4
|
58.0
|
1.0
|
O
|
B:HOH173
|
4.5
|
41.8
|
1.0
|
O2B
|
B:UDP201
|
4.5
|
55.7
|
1.0
|
CE1
|
B:HIS53
|
4.6
|
51.5
|
1.0
|
CG
|
B:ASP115
|
4.6
|
54.8
|
1.0
|
CE1
|
B:HIS112
|
4.7
|
41.2
|
1.0
|
O5'
|
B:UDP201
|
4.8
|
62.8
|
1.0
|
O1B
|
B:UDP201
|
5.0
|
50.9
|
1.0
|
|
Magnesium binding site 3 out
of 6 in 3fbb
Go back to
Magnesium Binding Sites List in 3fbb
Magnesium binding site 3 out
of 6 in the Crystal Structure of the Mimivirus Ndk N62L-R107G Double Mutant Complexed with Udp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structure of the Mimivirus Ndk N62L-R107G Double Mutant Complexed with Udp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg202
b:62.5
occ:1.00
|
O3B
|
C:UDP201
|
2.4
|
51.3
|
1.0
|
O1A
|
C:UDP201
|
2.8
|
49.0
|
1.0
|
OD2
|
C:ASP115
|
3.4
|
52.5
|
1.0
|
NH2
|
C:ARG86
|
3.4
|
48.4
|
1.0
|
PB
|
C:UDP201
|
3.8
|
48.0
|
1.0
|
O
|
C:HOH181
|
3.9
|
38.8
|
1.0
|
PA
|
C:UDP201
|
4.1
|
52.2
|
1.0
|
NH1
|
C:ARG86
|
4.1
|
36.8
|
1.0
|
CZ
|
C:ARG86
|
4.1
|
45.8
|
1.0
|
CG
|
C:ASP115
|
4.2
|
45.9
|
1.0
|
O3A
|
C:UDP201
|
4.3
|
52.9
|
1.0
|
O2B
|
C:UDP201
|
4.4
|
43.2
|
1.0
|
CB
|
C:ASP115
|
4.6
|
37.9
|
1.0
|
O1B
|
C:UDP201
|
4.7
|
45.3
|
1.0
|
NE2
|
C:HIS53
|
4.8
|
39.2
|
1.0
|
O2A
|
C:UDP201
|
5.0
|
58.1
|
1.0
|
|
Magnesium binding site 4 out
of 6 in 3fbb
Go back to
Magnesium Binding Sites List in 3fbb
Magnesium binding site 4 out
of 6 in the Crystal Structure of the Mimivirus Ndk N62L-R107G Double Mutant Complexed with Udp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure of the Mimivirus Ndk N62L-R107G Double Mutant Complexed with Udp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg202
b:58.6
occ:1.00
|
O1A
|
D:UDP201
|
2.5
|
51.3
|
1.0
|
O3B
|
D:UDP201
|
2.5
|
47.7
|
1.0
|
OD2
|
D:ASP115
|
3.5
|
54.2
|
1.0
|
PA
|
D:UDP201
|
3.8
|
53.5
|
1.0
|
PB
|
D:UDP201
|
3.9
|
51.3
|
1.0
|
NH2
|
D:ARG86
|
3.9
|
53.5
|
1.0
|
O3A
|
D:UDP201
|
4.3
|
62.1
|
1.0
|
NH1
|
D:ARG86
|
4.4
|
46.5
|
1.0
|
CG
|
D:ASP115
|
4.5
|
52.8
|
1.0
|
CE1
|
D:HIS53
|
4.5
|
47.9
|
1.0
|
CZ
|
D:ARG86
|
4.5
|
52.5
|
1.0
|
NE2
|
D:HIS53
|
4.6
|
51.8
|
1.0
|
O2B
|
D:UDP201
|
4.7
|
47.9
|
1.0
|
O1B
|
D:UDP201
|
4.7
|
53.7
|
1.0
|
O5'
|
D:UDP201
|
4.8
|
51.1
|
1.0
|
O2A
|
D:UDP201
|
4.9
|
56.3
|
1.0
|
C5'
|
D:UDP201
|
4.9
|
48.9
|
1.0
|
|
Magnesium binding site 5 out
of 6 in 3fbb
Go back to
Magnesium Binding Sites List in 3fbb
Magnesium binding site 5 out
of 6 in the Crystal Structure of the Mimivirus Ndk N62L-R107G Double Mutant Complexed with Udp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Crystal Structure of the Mimivirus Ndk N62L-R107G Double Mutant Complexed with Udp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg202
b:62.7
occ:1.00
|
O3B
|
E:UDP201
|
2.5
|
53.5
|
1.0
|
O1A
|
E:UDP201
|
2.6
|
53.1
|
1.0
|
OD2
|
E:ASP115
|
3.4
|
55.1
|
1.0
|
NH2
|
E:ARG86
|
3.6
|
52.6
|
1.0
|
PB
|
E:UDP201
|
3.8
|
56.4
|
1.0
|
PA
|
E:UDP201
|
3.9
|
57.2
|
1.0
|
NH1
|
E:ARG86
|
4.2
|
50.0
|
1.0
|
CZ
|
E:ARG86
|
4.3
|
52.1
|
1.0
|
CG
|
E:ASP115
|
4.3
|
47.4
|
1.0
|
O3A
|
E:UDP201
|
4.3
|
63.4
|
1.0
|
O2B
|
E:UDP201
|
4.5
|
52.2
|
1.0
|
CB
|
E:ASP115
|
4.7
|
41.3
|
1.0
|
O2A
|
E:UDP201
|
4.8
|
54.5
|
1.0
|
O
|
E:HOH151
|
4.8
|
35.5
|
1.0
|
O1B
|
E:UDP201
|
4.8
|
55.1
|
1.0
|
NE2
|
E:HIS53
|
5.0
|
51.1
|
1.0
|
|
Magnesium binding site 6 out
of 6 in 3fbb
Go back to
Magnesium Binding Sites List in 3fbb
Magnesium binding site 6 out
of 6 in the Crystal Structure of the Mimivirus Ndk N62L-R107G Double Mutant Complexed with Udp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Crystal Structure of the Mimivirus Ndk N62L-R107G Double Mutant Complexed with Udp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg202
b:60.9
occ:1.00
|
O3B
|
F:UDP201
|
2.6
|
69.5
|
1.0
|
O1A
|
F:UDP201
|
3.0
|
64.2
|
1.0
|
OD2
|
F:ASP115
|
3.1
|
56.7
|
1.0
|
NH2
|
F:ARG86
|
3.3
|
54.4
|
1.0
|
CG
|
F:ASP115
|
3.9
|
50.6
|
1.0
|
NH1
|
F:ARG86
|
3.9
|
56.9
|
1.0
|
CZ
|
F:ARG86
|
3.9
|
55.5
|
1.0
|
PB
|
F:UDP201
|
4.0
|
60.4
|
1.0
|
CB
|
F:ASP115
|
4.1
|
44.2
|
1.0
|
PA
|
F:UDP201
|
4.2
|
75.0
|
1.0
|
O3A
|
F:UDP201
|
4.6
|
69.2
|
1.0
|
O1B
|
F:UDP201
|
4.6
|
63.9
|
1.0
|
OD1
|
F:ASP115
|
4.8
|
44.8
|
1.0
|
O2B
|
F:UDP201
|
4.9
|
59.6
|
1.0
|
|
Reference:
S.Jeudy,
A.Lartigue,
J.M.Claverie,
C.Abergel.
Dissecting the Unique Nucleotide Specificity of Mimivirus Nucleoside Diphosphate Kinase. J.Virol. V. 83 7142 2009.
ISSN: ISSN 0022-538X
PubMed: 19439473
DOI: 10.1128/JVI.00511-09
Page generated: Wed Aug 14 13:37:29 2024
|