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Barium in PDB 5fke: Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu

Protein crystallography data

The structure of Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu, PDB code: 5fke was solved by L.Huang, D.M.J.Lilley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 58.071 / 2.80
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 62.670, 62.670, 154.430, 90.00, 90.00, 90.00
R / Rfree (%) 24.66 / 30.58

Other elements in 5fke:

The structure of Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu also contains other interesting chemical elements:

Sodium (Na) 2 atoms
Potassium (K) 1 atom

Barium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Barium atom in the Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu (pdb code 5fke). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 16 binding sites of Barium where determined in the Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu, PDB code: 5fke:
Jump to Barium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Barium binding site 1 out of 16 in 5fke

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Barium binding site 1 out of 16 in the Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba1096

b:0.7
occ:1.00
O6 A:G50 2.8 0.7 1.0
N1 A:G50 3.0 0.5 1.0
C6 A:G50 3.3 0.6 1.0
OP1 A:A52 3.8 0.9 1.0
C2 A:G50 4.2 0.1 1.0
C5' A:A52 4.2 0.5 1.0
P A:A52 4.4 0.2 1.0
O5' A:A52 4.4 0.8 1.0
N2 A:G50 4.5 0.1 1.0
OP2 A:A52 4.6 0.2 1.0
C5 A:G50 4.6 0.4 1.0
BA A:BA1104 4.8 0.7 1.0

Barium binding site 2 out of 16 in 5fke

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Barium binding site 2 out of 16 in the Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba1097

b:0.6
occ:0.95
O6 A:G11 3.0 0.0 1.0
O A:SAM1095 3.6 0.5 1.0
C6 A:G11 4.2 0.0 1.0
OP1 A:U64 4.2 0.6 1.0
OP2 A:U64 4.4 0.7 1.0
BA A:BA1109 4.5 0.8 0.8
O2' A:C8 4.5 0.1 1.0
C A:SAM1095 4.7 0.5 1.0
CE A:SAM1095 4.7 0.7 1.0
N1 A:G11 4.7 1.0 1.0
P A:U64 4.8 0.3 1.0
C5' A:U64 4.8 0.4 1.0
CB A:SAM1095 4.8 0.3 1.0
O2' A:C59 5.0 0.1 1.0

Barium binding site 3 out of 16 in 5fke

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Barium binding site 3 out of 16 in the Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 3 of Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba1098

b:0.9
occ:1.00
N7 A:G86 3.2 0.7 1.0
O6 A:G86 3.4 0.7 1.0
N7 A:A85 3.9 0.9 1.0
C5 A:G86 3.9 0.8 1.0
C6 A:G86 4.0 0.1 1.0
C8 A:G86 4.2 0.7 1.0
C8 A:A85 4.5 0.2 1.0
C5 A:A85 4.5 0.8 1.0
OP2 A:A85 4.7 0.5 1.0
N6 A:A87 4.7 0.4 1.0
N6 A:A85 4.8 0.7 1.0
C6 A:A85 4.9 0.7 1.0
OP2 A:A84 5.0 0.5 1.0

Barium binding site 4 out of 16 in 5fke

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Barium binding site 4 out of 16 in the Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 4 of Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba1099

b:0.5
occ:1.00
O4 A:U18 2.6 0.8 1.0
O6 A:G17 3.0 0.2 1.0
C4 A:U18 3.6 0.9 1.0
N7 A:G17 3.7 0.3 1.0
C6 A:G17 3.7 0.6 1.0
C5 A:G17 4.0 0.8 1.0
C5 A:U18 4.0 0.4 1.0
O2' A:G35 4.5 0.6 1.0
O6 A:G16 4.5 0.6 1.0
N4 A:C38 4.6 0.4 1.0
N3 A:U18 4.8 0.7 1.0
C8 A:G17 4.8 0.8 1.0
O6 A:G37 4.8 0.5 1.0
N1 A:G17 4.9 0.9 1.0

Barium binding site 5 out of 16 in 5fke

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Barium binding site 5 out of 16 in the Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 5 of Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba1100

b:0.0
occ:1.00
O5' A:G1 3.2 0.8 1.0
OP3 A:G1 3.4 0.5 1.0
C5' A:G1 3.6 0.9 1.0
P A:G1 3.7 0.5 1.0
OP2 A:G1 3.7 0.9 1.0
C8 A:G1 4.8 0.6 1.0
O4' A:G1 4.8 0.3 1.0
C4' A:G1 4.9 0.4 1.0

Barium binding site 6 out of 16 in 5fke

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Barium binding site 6 out of 16 in the Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 6 of Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba1101

b:0.0
occ:1.00
N7 A:G42 3.9 0.4 1.0
O6 A:G42 4.0 0.7 1.0
O6 A:G43 4.2 0.8 1.0
OP2 A:C41 4.4 0.8 1.0
C5 A:G42 4.6 0.8 1.0
C6 A:G42 4.6 0.8 1.0
C5 A:C41 4.7 0.5 1.0
C8 A:G42 4.9 0.0 1.0
N7 A:G43 5.0 0.4 1.0

Barium binding site 7 out of 16 in 5fke

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Barium binding site 7 out of 16 in the Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 7 of Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba1102

b:1.0
occ:0.87
N7 A:G55 3.3 0.6 1.0
N1 A:A46 3.9 0.2 1.0
C8 A:G55 4.0 0.1 1.0
C5 A:G55 4.2 0.6 1.0
OP2 A:G55 4.2 1.0 1.0
C2 A:A46 4.3 0.5 1.0
O6 A:G55 4.4 0.7 1.0
N1 A:A45 4.4 0.7 1.0
N6 A:A45 4.4 0.3 1.0
C6 A:G55 4.6 0.8 1.0
C6 A:A45 4.9 0.8 1.0
C6 A:A46 5.0 0.6 1.0

Barium binding site 8 out of 16 in 5fke

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Barium binding site 8 out of 16 in the Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 8 of Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba1103

b:0.0
occ:0.88
O2' A:U64 3.2 1.0 1.0
O4 A:U67 3.3 0.4 1.0
O2 A:U64 3.6 0.4 1.0
OP2 A:C66 4.1 0.3 1.0
C4 A:U67 4.4 0.5 1.0
C2' A:U64 4.5 0.5 1.0
C2 A:U64 4.5 0.1 1.0
N4 A:C25 4.5 0.0 1.0
C1' A:U64 4.6 0.1 1.0
O3' A:U64 4.7 0.1 1.0
C5 A:U67 4.8 0.7 1.0
N7 A:A24 4.9 0.2 1.0
N6 A:A24 4.9 0.8 1.0
O6 A:G68 5.0 0.9 1.0

Barium binding site 9 out of 16 in 5fke

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Barium binding site 9 out of 16 in the Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 9 of Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba1104

b:0.7
occ:1.00
N7 A:G50 2.9 0.3 1.0
O6 A:G50 3.0 0.7 1.0
C5 A:G50 3.4 0.4 1.0
C6 A:G50 3.4 0.6 1.0
C8 A:G50 4.0 0.1 1.0
OP1 A:A52 4.5 0.9 1.0
OP2 A:A52 4.6 0.2 1.0
C4 A:G50 4.6 0.1 1.0
N1 A:G50 4.7 0.5 1.0
BA A:BA1096 4.8 0.7 1.0
N7 A:A49 4.8 0.4 1.0
N9 A:G50 4.9 0.0 1.0

Barium binding site 10 out of 16 in 5fke

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Barium binding site 10 out of 16 in the Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 10 of Sam-I Riboswitch Bearing the H. Marismortui Kt-7 Variant 3BN Is Gu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba1105

b:0.2
occ:1.00
O6 A:G74 2.7 0.8 1.0
C6 A:G74 2.9 0.4 1.0
N7 A:G74 2.9 0.8 1.0
C5 A:G74 3.0 0.4 1.0
C8 A:G74 3.9 0.6 1.0
N1 A:G74 4.0 0.3 1.0
C4 A:G74 4.1 0.3 1.0
N9 A:G74 4.6 0.0 1.0
OP2 A:A76 4.6 0.4 1.0
OP1 A:A76 4.8 0.4 1.0
C2 A:G74 4.9 0.8 1.0
N3 A:G74 5.0 0.5 1.0

Reference:

L.Huang, J.Wang, D.M.J.Lilley. A Critical Base Pair in K-Turns Determines the Conformational Class Adopted, and Correlates with Biological Function. Nucleic Acids Res. V. 44 5390 2016.
ISSN: ISSN 0305-1048
PubMed: 27016741
DOI: 10.1093/NAR/GKW201
Page generated: Sat Dec 12 01:57:28 2020

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