Manganese in PDB 7bih: Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State.
Protein crystallography data
The structure of Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State., PDB code: 7bih
was solved by
M.De March,
S.Onesti,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
41.30 /
3.00
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
54.149,
101.629,
91.078,
90,
96.08,
90
|
R / Rfree (%)
|
21.1 /
28.3
|
Manganese Binding Sites:
The binding sites of Manganese atom in the Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State.
(pdb code 7bih). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the
Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State., PDB code: 7bih:
Jump to Manganese binding site number:
1;
2;
3;
4;
Manganese binding site 1 out
of 4 in 7bih
Go back to
Manganese Binding Sites List in 7bih
Manganese binding site 1 out
of 4 in the Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State.
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn501
b:60.8
occ:1.00
|
OD2
|
A:ASP94
|
2.0
|
57.5
|
1.0
|
O1
|
A:PO4503
|
2.2
|
68.9
|
1.0
|
OD2
|
A:ASP45
|
2.3
|
74.2
|
1.0
|
OD1
|
A:ASP45
|
2.7
|
66.2
|
1.0
|
ND1
|
A:HIS43
|
2.7
|
66.7
|
1.0
|
O4
|
A:PO4503
|
2.8
|
77.0
|
1.0
|
CG
|
A:ASP45
|
2.9
|
60.5
|
1.0
|
P
|
A:PO4503
|
3.0
|
67.2
|
1.0
|
CG
|
A:ASP94
|
3.0
|
59.5
|
1.0
|
MN
|
A:MN502
|
3.0
|
52.2
|
1.0
|
OD1
|
A:ASP94
|
3.3
|
58.9
|
1.0
|
CE1
|
A:HIS43
|
3.4
|
73.3
|
1.0
|
CG
|
A:HIS43
|
3.7
|
71.9
|
1.0
|
O3
|
A:PO4503
|
3.7
|
75.0
|
1.0
|
CB
|
A:HIS43
|
4.1
|
70.4
|
1.0
|
OD1
|
A:ASP171
|
4.2
|
50.9
|
1.0
|
CB
|
A:ASP47
|
4.2
|
52.7
|
1.0
|
O2
|
A:PO4503
|
4.3
|
57.8
|
1.0
|
CB
|
A:ASP94
|
4.3
|
60.6
|
1.0
|
OD2
|
A:ASP47
|
4.3
|
69.8
|
1.0
|
CB
|
A:ASP45
|
4.4
|
58.0
|
1.0
|
N
|
A:GLY48
|
4.4
|
50.2
|
1.0
|
NE2
|
A:HIS43
|
4.5
|
75.9
|
1.0
|
OD2
|
A:ASP171
|
4.6
|
44.0
|
1.0
|
CD2
|
A:HIS43
|
4.7
|
74.3
|
1.0
|
CG
|
A:ASP47
|
4.8
|
55.8
|
1.0
|
CG
|
A:ASP171
|
4.8
|
45.0
|
1.0
|
O
|
A:ASP94
|
5.0
|
73.5
|
1.0
|
CA
|
A:GLY48
|
5.0
|
56.3
|
1.0
|
|
Manganese binding site 2 out
of 4 in 7bih
Go back to
Manganese Binding Sites List in 7bih
Manganese binding site 2 out
of 4 in the Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State.
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn502
b:52.2
occ:1.00
|
O4
|
A:PO4503
|
1.9
|
77.0
|
1.0
|
OD1
|
A:ASP94
|
2.1
|
58.9
|
1.0
|
OD2
|
A:ASP47
|
2.1
|
69.8
|
1.0
|
OD2
|
A:ASP171
|
2.3
|
44.0
|
1.0
|
NE2
|
A:HIS115
|
2.5
|
38.0
|
1.0
|
CG
|
A:ASP94
|
2.9
|
59.5
|
1.0
|
OD2
|
A:ASP94
|
3.0
|
57.5
|
1.0
|
MN
|
A:MN501
|
3.0
|
60.8
|
1.0
|
CG
|
A:ASP47
|
3.2
|
55.8
|
1.0
|
CG
|
A:ASP171
|
3.2
|
45.0
|
1.0
|
P
|
A:PO4503
|
3.3
|
67.2
|
1.0
|
CE1
|
A:HIS115
|
3.5
|
44.6
|
1.0
|
OD1
|
A:ASP171
|
3.5
|
50.9
|
1.0
|
CD2
|
A:HIS115
|
3.5
|
43.2
|
1.0
|
CB
|
A:ASP47
|
3.5
|
52.7
|
1.0
|
O1
|
A:PO4503
|
3.8
|
68.9
|
1.0
|
O3
|
A:PO4503
|
4.2
|
75.0
|
1.0
|
O2
|
A:PO4503
|
4.2
|
57.8
|
1.0
|
CB
|
A:ASP94
|
4.3
|
60.6
|
1.0
|
OD1
|
A:ASP47
|
4.3
|
61.7
|
1.0
|
N
|
A:ALA145
|
4.5
|
47.5
|
1.0
|
CB
|
A:ALA145
|
4.5
|
50.7
|
1.0
|
CB
|
A:ASP171
|
4.6
|
44.7
|
1.0
|
ND1
|
A:HIS115
|
4.6
|
42.1
|
1.0
|
CG
|
A:HIS115
|
4.7
|
43.8
|
1.0
|
CE1
|
A:HIS116
|
4.7
|
74.2
|
1.0
|
NE2
|
A:HIS427
|
4.8
|
56.9
|
1.0
|
OD2
|
A:ASP45
|
4.9
|
74.2
|
1.0
|
CB
|
A:SER144
|
4.9
|
48.3
|
1.0
|
CA
|
A:ASP94
|
4.9
|
62.5
|
1.0
|
CA
|
A:ASP47
|
5.0
|
51.6
|
1.0
|
OD1
|
A:ASP45
|
5.0
|
66.2
|
1.0
|
|
Manganese binding site 3 out
of 4 in 7bih
Go back to
Manganese Binding Sites List in 7bih
Manganese binding site 3 out
of 4 in the Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State.
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn501
b:64.5
occ:1.00
|
OD2
|
B:ASP94
|
1.8
|
67.1
|
1.0
|
O3
|
B:PO4504
|
2.1
|
82.5
|
1.0
|
ND1
|
B:HIS43
|
2.3
|
51.2
|
1.0
|
OD2
|
B:ASP45
|
2.3
|
49.3
|
1.0
|
OD1
|
B:ASP45
|
2.6
|
47.0
|
1.0
|
O2
|
B:PO4504
|
2.7
|
75.2
|
1.0
|
P
|
B:PO4504
|
2.8
|
67.6
|
1.0
|
CG
|
B:ASP45
|
2.8
|
44.5
|
1.0
|
CG
|
B:ASP94
|
2.9
|
67.4
|
1.0
|
CE1
|
B:HIS43
|
3.0
|
49.5
|
1.0
|
CG
|
B:HIS43
|
3.3
|
57.2
|
1.0
|
O4
|
B:PO4504
|
3.4
|
69.1
|
1.0
|
MN
|
B:MN502
|
3.4
|
68.4
|
1.0
|
OD1
|
B:ASP94
|
3.4
|
68.2
|
1.0
|
CB
|
B:HIS43
|
3.7
|
57.6
|
1.0
|
NE2
|
B:HIS43
|
4.1
|
53.3
|
1.0
|
CB
|
B:ASP94
|
4.1
|
69.6
|
1.0
|
O1
|
B:PO4504
|
4.2
|
64.6
|
1.0
|
CD2
|
B:HIS43
|
4.3
|
57.5
|
1.0
|
CB
|
B:ASP45
|
4.3
|
43.3
|
1.0
|
N
|
B:GLY48
|
4.4
|
57.8
|
1.0
|
CB
|
B:ASP47
|
4.5
|
74.6
|
1.0
|
OD2
|
B:ASP47
|
4.6
|
75.3
|
1.0
|
OD1
|
B:ASP171
|
4.7
|
70.3
|
1.0
|
O
|
B:ASP94
|
4.7
|
61.9
|
1.0
|
CA
|
B:GLY48
|
4.8
|
58.0
|
1.0
|
OD2
|
B:ASP171
|
5.0
|
64.6
|
1.0
|
|
Manganese binding site 4 out
of 4 in 7bih
Go back to
Manganese Binding Sites List in 7bih
Manganese binding site 4 out
of 4 in the Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State.
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn502
b:68.4
occ:1.00
|
O2
|
B:PO4504
|
2.1
|
75.2
|
1.0
|
OD2
|
B:ASP171
|
2.2
|
64.6
|
1.0
|
OD1
|
B:ASP94
|
2.2
|
68.2
|
1.0
|
OD2
|
B:ASP47
|
2.3
|
75.3
|
1.0
|
O4
|
B:PO4504
|
2.4
|
69.1
|
1.0
|
NE2
|
B:HIS115
|
2.6
|
63.8
|
1.0
|
P
|
B:PO4504
|
2.8
|
67.6
|
1.0
|
CG
|
B:ASP94
|
3.0
|
67.4
|
1.0
|
OD2
|
B:ASP94
|
3.1
|
67.1
|
1.0
|
CG
|
B:ASP171
|
3.1
|
66.6
|
1.0
|
CG
|
B:ASP47
|
3.3
|
75.3
|
1.0
|
MN
|
B:MN501
|
3.4
|
64.5
|
1.0
|
OD1
|
B:ASP171
|
3.4
|
70.3
|
1.0
|
CE1
|
B:HIS115
|
3.5
|
68.7
|
1.0
|
CD2
|
B:HIS115
|
3.6
|
63.7
|
1.0
|
CB
|
B:ASP47
|
3.6
|
74.6
|
1.0
|
O3
|
B:PO4504
|
3.7
|
82.5
|
1.0
|
O1
|
B:PO4504
|
3.9
|
64.6
|
1.0
|
NE2
|
B:HIS427
|
4.3
|
98.6
|
1.0
|
CB
|
B:ASP94
|
4.4
|
69.6
|
1.0
|
OD1
|
B:ASP47
|
4.5
|
75.6
|
1.0
|
CB
|
B:ASP171
|
4.5
|
64.3
|
1.0
|
CE1
|
B:HIS116
|
4.6
|
65.4
|
1.0
|
N
|
B:ALA145
|
4.6
|
60.0
|
1.0
|
ND1
|
B:HIS115
|
4.6
|
70.9
|
1.0
|
CB
|
B:ALA145
|
4.7
|
55.8
|
1.0
|
CG
|
B:HIS115
|
4.7
|
63.1
|
1.0
|
OD2
|
B:ASP45
|
4.8
|
49.3
|
1.0
|
NE2
|
B:HIS116
|
4.9
|
61.5
|
1.0
|
|
Reference:
M.De March,
S.Onesti.
Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus To Be Published.
Page generated: Sun Oct 6 08:08:24 2024
|