Manganese in PDB 2x6n: Human Foamy Virus Integrase - Catalytic Core. Manganese- Bound Structure.
Protein crystallography data
The structure of Human Foamy Virus Integrase - Catalytic Core. Manganese- Bound Structure., PDB code: 2x6n
was solved by
S.Rety,
O.Delelis,
L.Rezabkova,
B.Dubanchet,
J.Silhan,
A.Lewit-Bentley,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
44.62 /
2.06
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
84.767,
89.232,
177.084,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
22.574 /
27.004
|
Manganese Binding Sites:
The binding sites of Manganese atom in the Human Foamy Virus Integrase - Catalytic Core. Manganese- Bound Structure.
(pdb code 2x6n). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 6 binding sites of Manganese where determined in the
Human Foamy Virus Integrase - Catalytic Core. Manganese- Bound Structure., PDB code: 2x6n:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
Manganese binding site 1 out
of 6 in 2x6n
Go back to
Manganese Binding Sites List in 2x6n
Manganese binding site 1 out
of 6 in the Human Foamy Virus Integrase - Catalytic Core. Manganese- Bound Structure.
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Human Foamy Virus Integrase - Catalytic Core. Manganese- Bound Structure. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn1197
b:31.2
occ:1.00
|
O
|
A:HOH2082
|
2.0
|
22.4
|
1.0
|
O
|
A:HOH2080
|
2.1
|
28.4
|
1.0
|
O
|
A:HOH2079
|
2.2
|
26.6
|
1.0
|
OD2
|
A:ASP185
|
2.2
|
23.4
|
1.0
|
OD1
|
A:ASP128
|
2.2
|
21.3
|
1.0
|
O
|
A:HOH2081
|
2.3
|
19.3
|
1.0
|
CG
|
A:ASP185
|
3.1
|
24.2
|
1.0
|
CG
|
A:ASP128
|
3.2
|
22.6
|
1.0
|
OD1
|
A:ASP185
|
3.4
|
24.8
|
1.0
|
OD2
|
A:ASP128
|
3.5
|
19.0
|
1.0
|
O
|
A:HOH2006
|
4.0
|
18.1
|
1.0
|
O
|
A:HOH2018
|
4.2
|
34.6
|
1.0
|
O
|
A:TYR129
|
4.3
|
22.1
|
1.0
|
N
|
A:TYR129
|
4.4
|
19.9
|
1.0
|
CB
|
A:ASP185
|
4.5
|
23.6
|
1.0
|
CB
|
A:ASP128
|
4.6
|
19.7
|
1.0
|
O
|
A:HOH2039
|
4.9
|
54.2
|
1.0
|
CA
|
A:ASP128
|
4.9
|
20.6
|
1.0
|
|
Manganese binding site 2 out
of 6 in 2x6n
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Manganese Binding Sites List in 2x6n
Manganese binding site 2 out
of 6 in the Human Foamy Virus Integrase - Catalytic Core. Manganese- Bound Structure.
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Human Foamy Virus Integrase - Catalytic Core. Manganese- Bound Structure. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn1196
b:55.2
occ:1.00
|
OD2
|
B:ASP185
|
2.2
|
34.7
|
1.0
|
O
|
B:HOH2075
|
2.3
|
41.5
|
1.0
|
OD1
|
B:ASP128
|
2.3
|
32.7
|
1.0
|
CG
|
B:ASP185
|
3.2
|
34.5
|
1.0
|
CG
|
B:ASP128
|
3.2
|
30.9
|
1.0
|
OD2
|
B:ASP128
|
3.4
|
33.9
|
1.0
|
OD1
|
B:ASP185
|
3.5
|
36.4
|
1.0
|
O
|
B:HOH2009
|
4.1
|
35.2
|
1.0
|
O
|
B:TYR129
|
4.2
|
28.1
|
1.0
|
O
|
B:HOH2005
|
4.2
|
34.2
|
1.0
|
OH
|
D:TYR263
|
4.2
|
39.0
|
1.0
|
O
|
D:HOH2011
|
4.3
|
35.3
|
1.0
|
N
|
B:TYR129
|
4.5
|
27.1
|
1.0
|
CB
|
B:ASP185
|
4.6
|
31.2
|
1.0
|
CB
|
B:ASP128
|
4.6
|
28.6
|
1.0
|
O
|
B:HOH2006
|
4.7
|
52.6
|
1.0
|
CD
|
D:LYS262
|
4.8
|
51.2
|
1.0
|
|
Manganese binding site 3 out
of 6 in 2x6n
Go back to
Manganese Binding Sites List in 2x6n
Manganese binding site 3 out
of 6 in the Human Foamy Virus Integrase - Catalytic Core. Manganese- Bound Structure.
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Human Foamy Virus Integrase - Catalytic Core. Manganese- Bound Structure. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn1197
b:60.6
occ:1.00
|
O
|
C:HOH2045
|
2.1
|
40.5
|
1.0
|
O
|
C:HOH2044
|
2.1
|
43.2
|
1.0
|
O
|
C:HOH2047
|
2.1
|
40.6
|
1.0
|
OD2
|
C:ASP185
|
2.2
|
50.1
|
1.0
|
OD1
|
C:ASP128
|
2.2
|
36.1
|
1.0
|
O
|
C:HOH2046
|
2.9
|
42.4
|
1.0
|
CG
|
C:ASP128
|
3.1
|
36.8
|
1.0
|
CG
|
C:ASP185
|
3.1
|
49.6
|
1.0
|
OD2
|
C:ASP128
|
3.3
|
34.4
|
1.0
|
OD1
|
C:ASP185
|
3.4
|
49.6
|
1.0
|
O
|
C:HOH2019
|
4.1
|
44.9
|
1.0
|
O
|
C:TYR129
|
4.2
|
35.2
|
1.0
|
O
|
C:HOH2006
|
4.2
|
46.0
|
1.0
|
N
|
C:TYR129
|
4.4
|
34.2
|
1.0
|
CB
|
C:ASP185
|
4.5
|
49.7
|
1.0
|
CB
|
C:ASP128
|
4.5
|
36.8
|
1.0
|
CA
|
C:ASP128
|
5.0
|
36.1
|
1.0
|
|
Manganese binding site 4 out
of 6 in 2x6n
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Manganese Binding Sites List in 2x6n
Manganese binding site 4 out
of 6 in the Human Foamy Virus Integrase - Catalytic Core. Manganese- Bound Structure.
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Human Foamy Virus Integrase - Catalytic Core. Manganese- Bound Structure. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn1196
b:85.4
occ:1.00
|
OD2
|
D:ASP185
|
2.0
|
66.0
|
1.0
|
OD1
|
D:ASP128
|
2.3
|
60.8
|
1.0
|
OD2
|
D:ASP128
|
3.0
|
60.5
|
1.0
|
CG
|
D:ASP128
|
3.0
|
59.3
|
1.0
|
CG
|
D:ASP185
|
3.2
|
66.3
|
1.0
|
OD1
|
D:ASP185
|
3.9
|
66.8
|
1.0
|
O
|
D:TYR129
|
4.3
|
59.2
|
1.0
|
CB
|
D:ASP185
|
4.3
|
66.3
|
1.0
|
CB
|
D:ASP128
|
4.5
|
57.6
|
1.0
|
N
|
D:TYR129
|
4.7
|
57.3
|
1.0
|
|
Manganese binding site 5 out
of 6 in 2x6n
Go back to
Manganese Binding Sites List in 2x6n
Manganese binding site 5 out
of 6 in the Human Foamy Virus Integrase - Catalytic Core. Manganese- Bound Structure.
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Human Foamy Virus Integrase - Catalytic Core. Manganese- Bound Structure. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mn1193
b:44.6
occ:1.00
|
O
|
E:HOH2050
|
2.0
|
38.5
|
1.0
|
OD1
|
E:ASP128
|
2.2
|
29.3
|
1.0
|
O
|
E:HOH2051
|
2.2
|
42.3
|
1.0
|
OD2
|
E:ASP185
|
2.2
|
29.3
|
1.0
|
O
|
E:HOH2052
|
2.3
|
31.5
|
1.0
|
O
|
E:HOH2004
|
2.4
|
30.1
|
1.0
|
CG
|
E:ASP128
|
3.1
|
29.6
|
1.0
|
CG
|
E:ASP185
|
3.2
|
28.2
|
1.0
|
OD2
|
E:ASP128
|
3.4
|
31.7
|
1.0
|
OD1
|
E:ASP185
|
3.5
|
31.1
|
1.0
|
O
|
E:HOH2003
|
4.1
|
29.8
|
1.0
|
O
|
E:TYR129
|
4.2
|
29.2
|
1.0
|
O
|
E:HOH2007
|
4.4
|
33.6
|
1.0
|
N
|
E:TYR129
|
4.5
|
27.6
|
1.0
|
CB
|
E:ASP128
|
4.5
|
28.2
|
1.0
|
CB
|
E:ASP185
|
4.6
|
26.0
|
1.0
|
CA
|
E:ASP128
|
4.9
|
27.6
|
1.0
|
|
Manganese binding site 6 out
of 6 in 2x6n
Go back to
Manganese Binding Sites List in 2x6n
Manganese binding site 6 out
of 6 in the Human Foamy Virus Integrase - Catalytic Core. Manganese- Bound Structure.
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of Human Foamy Virus Integrase - Catalytic Core. Manganese- Bound Structure. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mn1195
b:41.6
occ:1.00
|
O
|
F:HOH2034
|
2.1
|
37.5
|
1.0
|
OD2
|
F:ASP185
|
2.1
|
32.0
|
1.0
|
O
|
F:HOH2036
|
2.3
|
35.2
|
1.0
|
OD1
|
F:ASP128
|
2.3
|
30.4
|
1.0
|
O
|
F:HOH2033
|
2.4
|
30.5
|
1.0
|
O
|
F:HOH2035
|
2.5
|
33.4
|
1.0
|
CG
|
F:ASP185
|
3.1
|
32.2
|
1.0
|
CG
|
F:ASP128
|
3.2
|
30.7
|
1.0
|
OD1
|
F:ASP185
|
3.4
|
32.8
|
1.0
|
OD2
|
F:ASP128
|
3.5
|
30.2
|
1.0
|
O
|
F:HOH2002
|
4.2
|
34.6
|
1.0
|
O
|
F:TYR129
|
4.3
|
31.8
|
1.0
|
CB
|
F:ASP185
|
4.5
|
31.4
|
1.0
|
O
|
F:HOH2006
|
4.5
|
34.4
|
1.0
|
N
|
F:TYR129
|
4.6
|
28.8
|
1.0
|
O
|
F:HOH2019
|
4.6
|
41.2
|
1.0
|
CB
|
F:ASP128
|
4.6
|
30.4
|
1.0
|
|
Reference:
S.Rety,
L.Rezabkova,
B.Dubanchet,
J.Silhan,
P.Legrand,
A.Lewit-Bentley.
Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase Acta Crystallogr.,Sect.F V. 66 881 2010.
ISSN: ISSN 1744-3091
PubMed: 20693659
DOI: 10.1107/S1744309110022852
Page generated: Sat Oct 5 15:25:26 2024
|