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Magnesium in PDB 3i56: Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit

Protein crystallography data

The structure of Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit, PDB code: 3i56 was solved by G.Gurel, G.Blaha, T.A.Steitz, P.B.Moore, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.90
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 212.430, 300.773, 575.414, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 24.3

Other elements in 3i56:

The structure of Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit also contains other interesting chemical elements:

Strontium (Sr) 108 atoms
Potassium (K) 2 atoms
Cadmium (Cd) 5 atoms
Chlorine (Cl) 22 atoms
Sodium (Na) 75 atoms

Magnesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 70; Page 8, Binding sites: 71 - 80; Page 9, Binding sites: 81 - 90; Page 10, Binding sites: 91 - 93;

Binding sites:

The binding sites of Magnesium atom in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit (pdb code 3i56). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 93 binding sites of Magnesium where determined in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit, PDB code: 3i56:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 93 in 3i56

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Magnesium binding site 1 out of 93 in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit


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Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg8050

b:18.8
occ:1.00
 O 0:HOH8761 2.5 60.0 1.0
O A:HOH396 2.5 0.3 1.0
O A:HOH1178 2.6 19.8 1.0
O A:HOH5306 2.6 65.8 1.0
O A:HOH2191 2.6 78.2 1.0
O A:HOH7810 2.6 0.8 1.0
O A:THR15 3.6 27.1 1.0
O A:THR184 3.7 33.6 1.0
O A:ARG182 4.1 34.1 1.0
O A:ARG17 4.3 27.1 1.0
O 0:HOH4341 4.3 91.9 1.0
O3' 0:G782 4.3 21.4 1.0
O A:HOH829 4.3 19.7 1.0
C A:THR15 4.6 26.3 1.0
O A:MET179 4.6 32.9 1.0
OP1 0:C783 4.7 21.9 1.0
O A:HOH4033 4.8 40.0 1.0
O2' 0:G782 4.8 20.4 1.0
C A:THR184 4.8 33.1 1.0
C4' 0:G782 5.0 19.3 1.0
N A:THR184 5.0 32.5 1.0
O A:LYS180 5.0 36.4 1.0

Magnesium binding site 2 out of 93 in 3i56

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Magnesium binding site 2 out of 93 in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit


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Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg8051

b:0.8
occ:1.00
 O A:HOH3019 2.5 26.7 1.0
OP2 0:G1873 2.6 32.5 1.0
OP1 0:G1873 2.8 34.3 1.0
O A:LEU27 2.8 56.3 1.0
NH2 A:ARG120 2.8 41.2 1.0
N A:LEU27 3.0 54.5 1.0
P 0:G1873 3.1 34.6 1.0
OD2 A:ASP26 3.1 61.3 1.0
C A:LEU27 3.2 56.6 1.0
C A:ASP26 3.4 54.5 1.0
CA A:LEU27 3.5 55.2 1.0
CZ A:ARG120 3.7 40.5 1.0
O 0:HOH6746 3.8 35.9 1.0
CG A:ASP26 3.8 59.7 1.0
CA A:ASP26 3.9 54.2 1.0
O 0:HOH4169 3.9 78.9 1.0
NH1 A:ARG120 3.9 41.5 1.0
O3' 0:C1872 4.0 31.4 1.0
CG A:GLU28 4.0 64.6 1.0
O A:ASP26 4.0 54.8 1.0
CB A:LEU27 4.0 53.4 1.0
N A:GLU28 4.1 59.5 1.0
O5' 0:G1873 4.4 32.5 1.0
CB A:ASP26 4.4 56.5 1.0
O 0:HOH7888 4.5 55.6 1.0
OD1 A:ASP26 4.5 60.7 1.0
NE A:ARG120 4.7 39.3 1.0
CA A:GLU28 4.7 62.2 1.0
CB A:GLU28 4.9 63.1 1.0
CG A:LEU27 5.0 52.2 1.0

Magnesium binding site 3 out of 93 in 3i56

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Magnesium binding site 3 out of 93 in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg8042

b:41.0
occ:1.00
 O B:HOH7791 2.4 19.9 1.0
O 0:HOH7675 2.7 92.3 1.0
O 0:HOH5879 2.7 75.2 1.0
O B:HOH2267 2.7 25.5 1.0
O 0:HOH8484 2.9 83.0 1.0
O B:HOH7867 2.9 48.5 1.0
O B:GLY337 3.6 50.4 1.0
OP2 0:U2721 3.6 34.0 1.0
OP1 0:C2720 4.0 33.3 1.0
C B:GLY337 4.1 49.5 1.0
O 0:HOH8426 4.2 21.5 1.0
OXT B:GLY337 4.4 50.2 1.0
OP1 0:U2721 4.5 31.4 1.0
P 0:U2721 4.5 32.3 1.0
CG2 U:THR17 4.6 44.9 1.0
OE2 B:GLU333 4.9 44.6 1.0
O 0:HOH6711 4.9 46.0 1.0

Magnesium binding site 4 out of 93 in 3i56

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Magnesium binding site 4 out of 93 in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg8043

b:37.1
occ:1.00
 OP1 0:A2757 2.4 34.6 1.0
O 0:HOH8391 2.5 65.6 1.0
O 0:HOH7811 2.6 65.8 1.0
O 0:HOH6711 2.6 46.0 1.0
O B:ASN335 2.9 44.5 1.0
O 0:HOH8766 3.0 0.3 1.0
P 0:A2757 3.5 35.7 1.0
OP2 0:A2719 3.6 37.6 1.0
OP2 0:C2720 3.8 33.0 1.0
OP2 0:A2757 3.9 35.2 1.0
C B:ASN335 4.0 43.6 1.0
O5' 0:A2757 4.2 34.8 1.0
OP2 0:G2758 4.4 34.8 1.0
O 0:HOH8426 4.7 21.5 1.0
CA B:ASN335 4.7 43.5 1.0
P 0:A2719 4.8 39.1 1.0
O 0:HOH5341 4.8 19.7 1.0
C5' 0:A2757 4.8 34.9 1.0
O 0:HOH9156 4.8 76.1 1.0
O3' 0:U2756 4.8 33.9 1.0
O 0:HOH7675 4.9 92.3 1.0
O B:GLY337 4.9 50.4 1.0
N B:GLN336 4.9 43.2 1.0
O5' 0:A2719 4.9 36.6 1.0
CB B:ASN335 5.0 43.2 1.0

Magnesium binding site 5 out of 93 in 3i56

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Magnesium binding site 5 out of 93 in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg8012

b:10.2
occ:1.00
 O 0:HOH4586 2.3 20.8 1.0
OP2 0:G456 2.3 18.9 1.0
O 0:HOH8343 2.4 25.1 1.0
O 0:HOH8735 2.4 33.9 1.0
O C:HOH7228 2.5 56.4 1.0
O 0:HOH7729 2.5 1.6 1.0
O C:GLY86 3.0 21.9 1.0
P 0:G456 3.5 20.6 1.0
OP1 0:G456 4.0 18.6 1.0
O 0:HOH4457 4.0 33.3 1.0
C C:GLY86 4.1 22.4 1.0
OP2 0:G458 4.1 21.5 1.0
O 0:HOH4730 4.2 33.4 1.0
C C:LYS85 4.3 19.0 1.0
O5' 0:G456 4.3 19.3 1.0
O 0:HOH8113 4.3 86.8 1.0
O C:LYS85 4.4 20.0 1.0
OP1 0:A455 4.4 15.4 1.0
OP2 0:U457 4.4 17.5 1.0
N C:GLY86 4.4 19.8 1.0
CA C:LYS85 4.5 18.2 1.0
O3' 0:A455 4.8 18.7 1.0
CA C:GLY86 4.9 20.7 1.0
N C:ARG87 4.9 22.0 1.0
N C:GLY53 4.9 19.0 1.0
CA C:ARG87 5.0 22.1 1.0
CA C:GLY53 5.0 18.3 1.0

Magnesium binding site 6 out of 93 in 3i56

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Magnesium binding site 6 out of 93 in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Mg8054

b:62.0
occ:1.00
 O 0:HOH7871 2.5 0.7 1.0
O K:HOH2121 2.6 31.8 1.0
O 0:HOH5362 2.7 16.3 1.0
O 0:HOH8136 2.7 79.7 1.0
O 0:HOH9139 2.8 68.3 1.0
OD1 K:ASN42 3.0 35.0 1.0
O 0:HOH3492 3.3 43.2 1.0
CG K:ASN42 4.1 32.7 1.0
O 0:HOH4649 4.4 32.9 1.0
OP1 0:U1749 4.4 27.8 1.0
O 0:HOH7730 4.4 13.3 1.0
OP1 0:U2545 4.6 25.9 1.0
C5' 0:U2545 4.7 26.1 1.0
OP1 0:U2546 4.7 27.9 1.0
ND2 K:ASN42 4.8 32.8 1.0
CE K:LYS41 4.8 35.0 1.0
OP1 0:A2583 5.0 24.3 1.0

Magnesium binding site 7 out of 93 in 3i56

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Magnesium binding site 7 out of 93 in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Mg8057

b:60.7
occ:1.00
 O T:SER114 2.6 85.9 1.0
O T:HOH2868 2.7 81.3 1.0
O T:LEU112 2.9 70.7 1.0
OE1 T:GLN37 2.9 58.9 1.0
O T:ASP117 3.1 99.2 1.0
C T:LEU112 3.5 71.5 1.0
C T:SER114 3.5 85.9 1.0
O T:TYR35 3.6 55.4 1.0
O T:ARG111 3.6 68.0 1.0
CD T:GLN37 3.9 58.0 1.0
N T:SER114 4.0 80.9 1.0
CA T:LEU112 4.1 70.0 1.0
C T:GLU113 4.1 78.7 1.0
N T:GLU115 4.1 88.8 1.0
CA T:GLU115 4.2 92.1 1.0
CG T:GLN37 4.2 56.9 1.0
N T:GLU113 4.2 73.8 1.0
C T:ASP117 4.4 99.4 1.0
CA T:SER114 4.4 84.2 1.0
O T:GLU113 4.4 79.1 1.0
CA T:GLU113 4.5 77.2 1.0
C T:ARG111 4.6 67.6 1.0
C T:TYR35 4.8 55.4 1.0
N T:LEU112 4.8 68.7 1.0
C T:GLU115 4.8 93.8 1.0
CA T:SER118 4.9 98.3 1.0
OG T:SER114 5.0 86.5 1.0

Magnesium binding site 8 out of 93 in 3i56

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Magnesium binding site 8 out of 93 in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range:
probe atom residue distance (Å) B Occ
Y:Mg8086

b:69.5
occ:1.00
 O Y:VAL139 2.5 27.8 1.0
O Y:HOH5308 2.6 28.0 1.0
O Y:HOH3892 2.8 50.1 1.0
O Y:HOH7863 2.8 54.2 1.0
O Y:LYS136 2.8 27.7 1.0
O Y:HIS133 2.9 25.4 1.0
O Y:LYS137 3.0 26.8 1.0
CA Y:LYS137 3.4 27.8 1.0
C Y:LYS137 3.4 27.6 1.0
C Y:VAL139 3.6 28.0 1.0
C Y:LYS136 3.7 26.8 1.0
N Y:LYS137 4.0 27.0 1.0
C Y:HIS133 4.0 24.8 1.0
O Y:HOH1559 4.1 19.9 1.0
N Y:VAL139 4.1 26.9 1.0
CA Y:VAL139 4.4 28.0 1.0
N Y:SER140 4.4 28.4 1.0
N Y:ARG138 4.4 28.4 1.0
CB Y:LYS137 4.5 28.2 1.0
CA Y:SER140 4.5 28.9 1.0
CA Y:HIS133 4.7 23.8 1.0
CG Y:LYS137 4.8 28.6 1.0
C Y:ARG138 4.9 27.0 1.0
CB Y:HIS133 4.9 22.2 1.0
CB Y:VAL139 5.0 27.6 1.0

Magnesium binding site 9 out of 93 in 3i56

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Magnesium binding site 9 out of 93 in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range:
probe atom residue distance (Å) B Occ
2:Mg8060

b:67.0
occ:1.00
 O 0:HOH7877 2.5 61.5 1.0
O 0:HOH6489 2.6 61.5 1.0
O 0:HOH7876 2.8 45.6 1.0
O 0:HOH7813 2.9 90.0 1.0
O 2:HOH7875 3.0 0.9 1.0
O 0:HOH7812 3.6 58.8 1.0
OD2 2:ASP15 3.6 47.5 1.0
O 2:HOH3944 3.9 0.9 1.0
OD1 2:ASP15 4.0 45.6 1.0
O 0:HOH9039 4.1 64.0 1.0
CG 2:ASP15 4.2 45.7 1.0
O 2:ASP15 4.9 47.2 1.0
O2' 0:U1418 4.9 21.2 1.0

Magnesium binding site 10 out of 93 in 3i56

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Magnesium binding site 10 out of 93 in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range:
probe atom residue distance (Å) B Occ
0:Mg8001

b:2.3
occ:1.00
 OP2 0:C2534 2.4 26.8 1.0
O 0:HOH8336 2.4 13.6 1.0
O 0:HOH7743 2.5 40.2 1.0
OP2 0:A2483 2.5 23.6 1.0
OP2 0:C2533 2.6 22.9 1.0
O 0:HOH3589 2.7 16.4 1.0
O3' 0:G2482 3.0 24.0 1.0
P 0:A2483 3.3 23.2 1.0
O 0:HOH2977 3.8 85.6 1.0
P 0:C2534 3.8 29.0 1.0
P 0:C2533 3.8 23.4 1.0
O2' 0:G2482 3.9 27.8 1.0
O 0:HOH5420 3.9 31.4 1.0
O5' 0:C2533 4.0 24.0 1.0
O2' 0:A2532 4.2 24.5 1.0
OP2 0:U2484 4.2 26.7 1.0
OP1 0:A2483 4.2 23.8 1.0
C3' 0:G2482 4.3 24.6 1.0
O3' 0:A2532 4.3 24.3 1.0
C2' 0:G2482 4.5 25.2 1.0
O5' 0:C2534 4.5 27.2 1.0
O5' 0:A2483 4.5 23.8 1.0
OP1 0:C2534 4.6 27.3 1.0
C1' 0:G2482 4.7 25.4 1.0
C5 0:C2534 4.7 32.9 1.0
C5' 0:A2483 4.8 22.7 1.0
O3' 0:C2533 4.8 26.2 1.0
MG 0:MG8002 4.8 14.6 1.0
C3' 0:C2533 4.9 24.1 1.0

Reference:

G.Gurel, G.Blaha, T.A.Steitz, P.B.Moore. Structures of Triacetyloleandomycin and Mycalamide A Bind to the Large Ribosomal Subunit of Haloarcula Marismortui. Antimicrob.Agents Chemother. V. 53 5010 2009.
ISSN: ISSN 0066-4804
PubMed: 19738021
DOI: 10.1128/AAC.00817-09
Page generated: Wed Aug 14 15:38:31 2024

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