Barium in PDB 4y1i: Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+
Protein crystallography data
The structure of Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+, PDB code: 4y1i
was solved by
I.R.Price,
A.Ke,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
55.90 /
2.85
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
67.285,
127.881,
115.324,
90.00,
93.37,
90.00
|
R / Rfree (%)
|
19.3 /
22.4
|
Other elements in 4y1i:
The structure of Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+ also contains other interesting chemical elements:
Barium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
19;
Binding sites:
The binding sites of Barium atom in the Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+
(pdb code 4y1i). This binding sites where shown within
5.0 Angstroms radius around Barium atom.
In total 19 binding sites of Barium where determined in the
Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+, PDB code: 4y1i:
Jump to Barium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Barium binding site 1 out
of 19 in 4y1i
Go back to
Barium Binding Sites List in 4y1i
Barium binding site 1 out
of 19 in the Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+
 Mono view
 Stereo pair view
|
A full contact list of Barium with other atoms in the Ba binding
site number 1 of Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ba213
b:69.8
occ:1.00
|
O4
|
A:U36
|
2.7
|
53.1
|
1.0
|
O6
|
A:G62
|
2.8
|
55.7
|
1.0
|
O6
|
A:G35
|
2.8
|
46.1
|
1.0
|
O
|
A:HOH304
|
3.1
|
50.5
|
1.0
|
O6
|
A:G61
|
3.2
|
57.1
|
1.0
|
C4
|
A:U36
|
3.7
|
40.2
|
1.0
|
C6
|
A:G35
|
3.9
|
42.2
|
1.0
|
C6
|
A:G62
|
3.9
|
46.9
|
1.0
|
C6
|
A:G61
|
4.0
|
53.5
|
1.0
|
N3
|
A:U36
|
4.1
|
35.3
|
1.0
|
N4
|
A:C63
|
4.2
|
50.4
|
1.0
|
N4
|
A:C37
|
4.3
|
38.5
|
1.0
|
N7
|
A:G35
|
4.5
|
43.5
|
1.0
|
N7
|
A:G62
|
4.5
|
47.5
|
1.0
|
C5
|
A:G35
|
4.6
|
42.2
|
1.0
|
C5
|
A:G62
|
4.6
|
43.2
|
1.0
|
N1
|
A:G61
|
4.7
|
54.4
|
1.0
|
C5
|
A:G61
|
4.8
|
51.8
|
1.0
|
N1
|
A:G35
|
4.9
|
32.1
|
1.0
|
|
Barium binding site 2 out
of 19 in 4y1i
Go back to
Barium Binding Sites List in 4y1i
Barium binding site 2 out
of 19 in the Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+
 Mono view
 Stereo pair view
|
A full contact list of Barium with other atoms in the Ba binding
site number 2 of Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ba214
b:0.6
occ:1.00
|
O
|
A:HOH309
|
3.0
|
64.8
|
1.0
|
O6
|
A:G6
|
3.2
|
63.6
|
1.0
|
N7
|
A:G6
|
3.7
|
68.8
|
1.0
|
C6
|
A:G6
|
4.0
|
57.2
|
1.0
|
N7
|
A:A5
|
4.1
|
69.6
|
1.0
|
C5
|
A:G6
|
4.2
|
57.3
|
1.0
|
O6
|
A:G7
|
4.2
|
64.3
|
1.0
|
N6
|
A:A5
|
4.5
|
63.6
|
1.0
|
OP1
|
A:G94
|
4.7
|
73.4
|
1.0
|
C5
|
A:A5
|
4.7
|
55.2
|
1.0
|
C8
|
A:A5
|
4.9
|
67.8
|
1.0
|
BA
|
A:BA220
|
4.9
|
0.5
|
1.0
|
C8
|
A:G6
|
4.9
|
65.8
|
1.0
|
C6
|
A:A5
|
4.9
|
61.7
|
1.0
|
|
Barium binding site 3 out
of 19 in 4y1i
Go back to
Barium Binding Sites List in 4y1i
Barium binding site 3 out
of 19 in the Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+
 Mono view
 Stereo pair view
|
A full contact list of Barium with other atoms in the Ba binding
site number 3 of Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ba215
b:0.6
occ:1.00
|
N7
|
A:G51
|
3.4
|
82.5
|
1.0
|
O6
|
A:G51
|
3.9
|
88.2
|
1.0
|
C5
|
A:G51
|
4.2
|
71.4
|
1.0
|
C8
|
A:G51
|
4.3
|
82.8
|
1.0
|
C6
|
A:G51
|
4.4
|
76.4
|
1.0
|
N7
|
A:G50
|
4.5
|
64.2
|
1.0
|
OP2
|
A:G50
|
5.0
|
72.9
|
1.0
|
O
|
A:HOH312
|
5.0
|
63.8
|
1.0
|
C8
|
A:G50
|
5.0
|
70.8
|
1.0
|
|
Barium binding site 4 out
of 19 in 4y1i
Go back to
Barium Binding Sites List in 4y1i
Barium binding site 4 out
of 19 in the Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+
 Mono view
 Stereo pair view
|
A full contact list of Barium with other atoms in the Ba binding
site number 4 of Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ba216
b:0.0
occ:1.00
|
O
|
A:HOH308
|
3.2
|
0.1
|
1.0
|
N7
|
A:G21
|
3.4
|
0.7
|
1.0
|
O6
|
A:G21
|
3.7
|
0.5
|
1.0
|
C5
|
A:G21
|
3.9
|
0.2
|
1.0
|
C6
|
A:G21
|
4.0
|
0.5
|
1.0
|
OP1
|
A:A23
|
4.1
|
0.9
|
1.0
|
C8
|
A:G21
|
4.3
|
0.9
|
1.0
|
C4
|
A:G21
|
4.9
|
0.1
|
1.0
|
|
Barium binding site 5 out
of 19 in 4y1i
Go back to
Barium Binding Sites List in 4y1i
Barium binding site 5 out
of 19 in the Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+
 Mono view
 Stereo pair view
|
A full contact list of Barium with other atoms in the Ba binding
site number 5 of Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ba217
b:0.2
occ:1.00
|
O
|
A:HOH321
|
2.7
|
0.5
|
1.0
|
O6
|
A:G21
|
2.8
|
0.5
|
1.0
|
O
|
A:HOH311
|
3.6
|
89.4
|
1.0
|
O
|
A:HOH308
|
3.7
|
0.1
|
1.0
|
C6
|
A:G21
|
3.9
|
0.5
|
1.0
|
O6
|
A:G20
|
4.1
|
0.0
|
1.0
|
N1
|
A:G21
|
4.6
|
0.6
|
1.0
|
O
|
A:HOH306
|
4.6
|
77.8
|
1.0
|
O6
|
A:G19
|
4.9
|
0.3
|
1.0
|
|
Barium binding site 6 out
of 19 in 4y1i
Go back to
Barium Binding Sites List in 4y1i
Barium binding site 6 out
of 19 in the Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+
 Mono view
 Stereo pair view
|
A full contact list of Barium with other atoms in the Ba binding
site number 6 of Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ba218
b:0.9
occ:1.00
|
OP1
|
A:A79
|
3.4
|
74.0
|
1.0
|
OP2
|
A:A79
|
3.9
|
70.2
|
1.0
|
O6
|
A:G77
|
4.0
|
85.3
|
1.0
|
N7
|
A:G77
|
4.0
|
59.1
|
1.0
|
P
|
A:A79
|
4.1
|
68.8
|
1.0
|
C6
|
A:G77
|
4.2
|
65.9
|
1.0
|
C5
|
A:G77
|
4.2
|
54.5
|
1.0
|
O3'
|
A:A78
|
4.8
|
76.9
|
1.0
|
C8
|
A:G77
|
4.8
|
57.9
|
1.0
|
|
Barium binding site 7 out
of 19 in 4y1i
Go back to
Barium Binding Sites List in 4y1i
Barium binding site 7 out
of 19 in the Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+
 Mono view
 Stereo pair view
|
A full contact list of Barium with other atoms in the Ba binding
site number 7 of Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ba219
b:0.5
occ:1.00
|
O6
|
A:G85
|
4.2
|
60.0
|
1.0
|
N7
|
A:G85
|
4.6
|
35.4
|
1.0
|
O4
|
A:U84
|
4.7
|
48.1
|
1.0
|
C5
|
A:U84
|
4.9
|
46.4
|
1.0
|
OP2
|
A:U69
|
5.0
|
63.1
|
1.0
|
|
Barium binding site 8 out
of 19 in 4y1i
Go back to
Barium Binding Sites List in 4y1i
Barium binding site 8 out
of 19 in the Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+
 Mono view
 Stereo pair view
|
A full contact list of Barium with other atoms in the Ba binding
site number 8 of Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ba220
b:0.5
occ:1.00
|
O6
|
A:G8
|
3.2
|
71.0
|
1.0
|
O
|
A:HOH309
|
4.1
|
64.8
|
1.0
|
C6
|
A:G8
|
4.2
|
66.4
|
1.0
|
N7
|
A:G7
|
4.4
|
49.3
|
1.0
|
OP2
|
A:G7
|
4.4
|
53.2
|
1.0
|
OP2
|
A:G6
|
4.5
|
59.1
|
1.0
|
N7
|
A:G8
|
4.6
|
62.5
|
1.0
|
N7
|
A:G6
|
4.8
|
68.8
|
1.0
|
C5
|
A:G8
|
4.8
|
61.9
|
1.0
|
BA
|
A:BA214
|
4.9
|
0.6
|
1.0
|
|
Barium binding site 9 out
of 19 in 4y1i
Go back to
Barium Binding Sites List in 4y1i
Barium binding site 9 out
of 19 in the Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+
 Mono view
 Stereo pair view
|
A full contact list of Barium with other atoms in the Ba binding
site number 9 of Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ba221
b:0.8
occ:1.00
|
O2
|
A:C40
|
2.8
|
75.2
|
1.0
|
O4
|
A:U39
|
3.5
|
71.0
|
1.0
|
C2
|
A:C40
|
3.8
|
48.1
|
1.0
|
C4
|
A:U39
|
4.3
|
52.4
|
1.0
|
N3
|
A:C40
|
4.4
|
56.7
|
1.0
|
N3
|
A:U39
|
4.5
|
55.9
|
1.0
|
N1
|
A:C40
|
4.8
|
41.6
|
1.0
|
C1'
|
A:C40
|
4.8
|
62.3
|
1.0
|
|
Barium binding site 10 out
of 19 in 4y1i
Go back to
Barium Binding Sites List in 4y1i
Barium binding site 10 out
of 19 in the Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+
 Mono view
 Stereo pair view
|
A full contact list of Barium with other atoms in the Ba binding
site number 10 of Lactococcus Lactis Yybp-Ykoy Mn Riboswitch Bound to MN2+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ba222
b:0.9
occ:1.00
|
OP2
|
A:A13
|
3.2
|
76.3
|
1.0
|
O2'
|
A:G11
|
3.7
|
68.2
|
1.0
|
O6
|
A:G14
|
3.8
|
79.2
|
1.0
|
OP2
|
A:U12
|
3.9
|
53.2
|
1.0
|
N1
|
A:A92
|
4.3
|
77.5
|
1.0
|
O3'
|
A:G11
|
4.4
|
43.8
|
1.0
|
C2
|
A:A92
|
4.4
|
79.6
|
1.0
|
N7
|
A:G14
|
4.7
|
81.2
|
1.0
|
P
|
A:A13
|
4.7
|
65.6
|
1.0
|
P
|
A:U12
|
4.7
|
52.2
|
1.0
|
C6
|
A:G14
|
4.8
|
76.4
|
1.0
|
C2'
|
A:G11
|
4.9
|
61.7
|
1.0
|
|
Reference:
I.R.Price,
A.Gaballa,
F.Ding,
J.D.Helmann,
A.Ke.
Mn(2+)-Sensing Mechanisms of Yybp-Ykoy Orphan Riboswitches. Mol.Cell V. 57 1110 2015.
ISSN: ISSN 1097-2765
PubMed: 25794619
DOI: 10.1016/J.MOLCEL.2015.02.016
Page generated: Wed Jul 10 15:37:02 2024
|