Magnesium in PDB 3fcw: Crystal Structure of the Mimivirus Ndk N62L Mutant Complexed with Udp
Enzymatic activity of Crystal Structure of the Mimivirus Ndk N62L Mutant Complexed with Udp
All present enzymatic activity of Crystal Structure of the Mimivirus Ndk N62L Mutant Complexed with Udp:
2.7.4.6;
Protein crystallography data
The structure of Crystal Structure of the Mimivirus Ndk N62L Mutant Complexed with Udp, PDB code: 3fcw
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)
|
39.07 /
2.40
|
Space group
|
C 2 2 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
80.994,
152.812,
186.554,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20 /
24.8
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of the Mimivirus Ndk N62L Mutant Complexed with Udp
(pdb code 3fcw). 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 Mutant Complexed with Udp, PDB code: 3fcw:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
Magnesium binding site 1 out
of 6 in 3fcw
Go back to
Magnesium Binding Sites List in 3fcw
Magnesium binding site 1 out
of 6 in the Crystal Structure of the Mimivirus Ndk N62L 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 Mutant Complexed with Udp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg160
b:71.2
occ:1.00
|
O3B
|
A:UDP138
|
2.3
|
55.8
|
1.0
|
O1A
|
A:UDP138
|
2.7
|
55.1
|
1.0
|
O
|
A:HOH272
|
2.8
|
49.6
|
1.0
|
NH2
|
A:ARG86
|
3.4
|
64.8
|
1.0
|
PB
|
A:UDP138
|
3.7
|
56.2
|
1.0
|
OD2
|
A:ASP115
|
3.8
|
52.9
|
1.0
|
PA
|
A:UDP138
|
4.0
|
60.2
|
1.0
|
NH1
|
A:ARG86
|
4.0
|
56.6
|
1.0
|
CZ
|
A:ARG86
|
4.1
|
57.5
|
1.0
|
O1B
|
A:UDP138
|
4.3
|
56.0
|
1.0
|
O3A
|
A:UDP138
|
4.3
|
61.4
|
1.0
|
O
|
A:HOH276
|
4.6
|
49.2
|
1.0
|
O2A
|
A:UDP138
|
4.7
|
62.6
|
1.0
|
CG
|
A:ASP115
|
4.7
|
51.4
|
1.0
|
O2B
|
A:UDP138
|
4.7
|
53.5
|
1.0
|
CB
|
A:ASP115
|
5.0
|
51.0
|
1.0
|
CE1
|
A:HIS53
|
5.0
|
54.4
|
1.0
|
|
Magnesium binding site 2 out
of 6 in 3fcw
Go back to
Magnesium Binding Sites List in 3fcw
Magnesium binding site 2 out
of 6 in the Crystal Structure of the Mimivirus Ndk N62L 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 Mutant Complexed with Udp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg161
b:78.2
occ:1.00
|
O3B
|
B:UDP138
|
2.6
|
77.7
|
1.0
|
O1A
|
B:UDP138
|
2.7
|
77.5
|
1.0
|
O
|
B:HOH301
|
2.7
|
68.8
|
1.0
|
PB
|
B:UDP138
|
3.7
|
74.2
|
1.0
|
O2B
|
B:UDP138
|
3.8
|
59.4
|
1.0
|
NH2
|
B:ARG86
|
3.9
|
66.9
|
1.0
|
PA
|
B:UDP138
|
4.0
|
75.4
|
1.0
|
O3A
|
B:UDP138
|
4.2
|
81.1
|
1.0
|
NE2
|
B:HIS53
|
4.2
|
85.7
|
1.0
|
OD2
|
B:ASP115
|
4.4
|
73.0
|
1.0
|
C5'
|
B:UDP138
|
4.6
|
75.7
|
1.0
|
CE1
|
B:HIS112
|
4.7
|
71.7
|
1.0
|
CG
|
B:ASP115
|
4.7
|
80.4
|
1.0
|
O5'
|
B:UDP138
|
4.8
|
75.8
|
1.0
|
CE1
|
B:HIS53
|
4.8
|
81.8
|
1.0
|
ND1
|
B:HIS112
|
4.8
|
72.3
|
1.0
|
O
|
B:HOH145
|
4.9
|
61.2
|
1.0
|
O1B
|
B:UDP138
|
4.9
|
70.9
|
1.0
|
|
Magnesium binding site 3 out
of 6 in 3fcw
Go back to
Magnesium Binding Sites List in 3fcw
Magnesium binding site 3 out
of 6 in the Crystal Structure of the Mimivirus Ndk N62L 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 Mutant Complexed with Udp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg162
b:66.1
occ:1.00
|
O1A
|
C:UDP138
|
2.2
|
65.3
|
1.0
|
O
|
C:HOH264
|
2.4
|
58.7
|
1.0
|
O3B
|
C:UDP138
|
2.5
|
58.3
|
1.0
|
PA
|
C:UDP138
|
3.6
|
61.6
|
1.0
|
PB
|
C:UDP138
|
3.9
|
56.0
|
1.0
|
OD2
|
C:ASP115
|
3.9
|
66.7
|
1.0
|
NH2
|
C:ARG86
|
4.0
|
55.8
|
1.0
|
O3A
|
C:UDP138
|
4.2
|
65.2
|
1.0
|
O5'
|
C:UDP138
|
4.3
|
63.1
|
1.0
|
O
|
C:HOH253
|
4.3
|
51.6
|
1.0
|
NH1
|
C:ARG86
|
4.3
|
53.8
|
1.0
|
CZ
|
C:ARG86
|
4.6
|
60.6
|
1.0
|
O1B
|
C:UDP138
|
4.6
|
57.2
|
1.0
|
O2A
|
C:UDP138
|
4.7
|
64.5
|
1.0
|
NE2
|
C:HIS53
|
4.8
|
52.4
|
1.0
|
O2B
|
C:UDP138
|
4.8
|
48.9
|
1.0
|
CG
|
C:ASP115
|
4.8
|
54.3
|
1.0
|
CE1
|
C:HIS53
|
4.9
|
50.5
|
1.0
|
|
Magnesium binding site 4 out
of 6 in 3fcw
Go back to
Magnesium Binding Sites List in 3fcw
Magnesium binding site 4 out
of 6 in the Crystal Structure of the Mimivirus Ndk N62L 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 Mutant Complexed with Udp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg163
b:67.3
occ:1.00
|
O1A
|
D:UDP138
|
2.5
|
56.3
|
1.0
|
O
|
D:HOH263
|
2.6
|
55.6
|
1.0
|
O3B
|
D:UDP138
|
2.8
|
56.3
|
1.0
|
OD2
|
D:ASP115
|
3.4
|
56.5
|
1.0
|
PA
|
D:UDP138
|
3.9
|
61.0
|
1.0
|
NH2
|
D:ARG86
|
4.0
|
68.1
|
1.0
|
PB
|
D:UDP138
|
4.1
|
55.6
|
1.0
|
O
|
D:HOH254
|
4.4
|
47.8
|
1.0
|
NH1
|
D:ARG86
|
4.5
|
62.8
|
1.0
|
CG
|
D:ASP115
|
4.5
|
64.3
|
1.0
|
O3A
|
D:UDP138
|
4.5
|
65.7
|
1.0
|
CZ
|
D:ARG86
|
4.6
|
65.8
|
1.0
|
O5'
|
D:UDP138
|
4.6
|
62.5
|
1.0
|
O1B
|
D:UDP138
|
4.8
|
61.9
|
1.0
|
CE1
|
D:HIS53
|
4.9
|
54.7
|
1.0
|
O2A
|
D:UDP138
|
4.9
|
59.4
|
1.0
|
|
Magnesium binding site 5 out
of 6 in 3fcw
Go back to
Magnesium Binding Sites List in 3fcw
Magnesium binding site 5 out
of 6 in the Crystal Structure of the Mimivirus Ndk N62L 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 Mutant Complexed with Udp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg164
b:76.0
occ:1.00
|
O3B
|
E:UDP138
|
2.6
|
77.1
|
1.0
|
O1A
|
E:UDP138
|
2.7
|
77.6
|
1.0
|
NH2
|
E:ARG86
|
3.6
|
67.4
|
1.0
|
OD2
|
E:ASP115
|
3.6
|
72.8
|
1.0
|
PB
|
E:UDP138
|
3.8
|
74.4
|
1.0
|
PA
|
E:UDP138
|
3.9
|
76.5
|
1.0
|
NH1
|
E:ARG86
|
4.2
|
57.0
|
1.0
|
CZ
|
E:ARG86
|
4.2
|
63.5
|
1.0
|
O2B
|
E:UDP138
|
4.2
|
62.8
|
1.0
|
CG
|
E:ASP115
|
4.3
|
69.7
|
1.0
|
O5'
|
E:UDP138
|
4.4
|
76.1
|
1.0
|
O3A
|
E:UDP138
|
4.4
|
77.3
|
1.0
|
CB
|
E:ASP115
|
4.8
|
60.4
|
1.0
|
O1B
|
E:UDP138
|
4.9
|
70.3
|
1.0
|
|
Magnesium binding site 6 out
of 6 in 3fcw
Go back to
Magnesium Binding Sites List in 3fcw
Magnesium binding site 6 out
of 6 in the Crystal Structure of the Mimivirus Ndk N62L 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 Mutant Complexed with Udp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg165
b:74.3
occ:1.00
|
O3B
|
F:UDP138
|
2.7
|
68.8
|
1.0
|
O1A
|
F:UDP138
|
2.8
|
75.5
|
1.0
|
OD2
|
F:ASP115
|
3.1
|
62.2
|
1.0
|
NH2
|
F:ARG86
|
3.8
|
62.9
|
1.0
|
CG
|
F:ASP115
|
4.1
|
60.5
|
1.0
|
PB
|
F:UDP138
|
4.2
|
73.3
|
1.0
|
PA
|
F:UDP138
|
4.2
|
80.6
|
1.0
|
CZ
|
F:ARG86
|
4.6
|
64.5
|
1.0
|
CB
|
F:ASP115
|
4.6
|
60.0
|
1.0
|
O3A
|
F:UDP138
|
4.7
|
80.0
|
1.0
|
O2B
|
F:UDP138
|
4.9
|
68.4
|
1.0
|
OD1
|
F:ASP115
|
4.9
|
54.0
|
1.0
|
O2A
|
F:UDP138
|
5.0
|
74.6
|
1.0
|
NH1
|
F:ARG86
|
5.0
|
67.9
|
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 13:43:26 2024
|