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Magnesium in PDB 4b3t: Crystal Structure of the 30S Ribosome in Complex with Compound 39

Protein crystallography data

The structure of Crystal Structure of the 30S Ribosome in Complex with Compound 39, PDB code: 4b3t was solved by C.L.Ng, K.Lang, D.Shcherbakov, T.Matt, D.Perez-Fernandez, R.Patak, M.Meyer, S.Duscha, R.Akbergenov, H.Boukari, P.Freihofer, I.Kudyba, M.S.K.Reddy, R.S.Nandurikar, V.Ramakrishnan, A.Vasella, E.C.Bottger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 3.00
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 401.730, 401.730, 173.910, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 24.3

Other elements in 4b3t:

The structure of Crystal Structure of the 30S Ribosome in Complex with Compound 39 also contains other interesting chemical elements:

Potassium (K) 17 atoms
Chlorine (Cl) 1 atom
Zinc (Zn) 2 atoms

Magnesium Binding Sites:

Magnesium binding site 1 out of 219 in 4b3t

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Magnesium binding site 1 out of 219 in the Crystal Structure of the 30S Ribosome in Complex with Compound 39


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the 30S Ribosome in Complex with Compound 39 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg2545

b:78.7
occ:1.00
O6 A:G703 2.6 81.2 1.0
O2 A:C701 2.7 81.5 1.0
O2' A:C701 3.4 72.2 1.0
C6 A:G703 3.4 79.5 1.0
C1' A:C701 3.8 70.6 1.0
C2 A:C701 3.8 81.2 1.0
N1 A:G703 4.0 79.1 1.0
O3' A:C701 4.1 70.6 1.0
C2' A:C701 4.1 70.3 1.0
OP2 A:A702 4.2 77.4 1.0
C5 A:G703 4.3 78.0 1.0
N1 A:C701 4.3 80.0 1.0
N7 A:G703 4.7 78.3 1.0
C3' A:C701 4.8 70.0 1.0
P A:A702 4.8 76.6 1.0
O4' A:C701 4.9 69.7 1.0
N3 A:C701 4.9 82.5 1.0

Magnesium binding site 2 out of 219 in 4b3t

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Magnesium binding site 2 out of 219 in the Crystal Structure of the 30S Ribosome in Complex with Compound 39


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the 30S Ribosome in Complex with Compound 39 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg2546

b:94.5
occ:1.00
O6 A:G77 3.2 67.2 1.0
O6 A:G78 3.6 67.2 1.0
N7 A:G77 3.9 64.2 1.0
C6 A:G77 4.0 64.7 1.0
N7 A:G78 4.1 64.3 1.0
C5 A:G77 4.2 63.6 1.0
C6 A:G78 4.5 65.4 1.0
C5 A:G78 4.7 64.2 1.0
C8 A:G77 5.0 64.7 1.0

Magnesium binding site 3 out of 219 in 4b3t

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Magnesium binding site 3 out of 219 in the Crystal Structure of the 30S Ribosome in Complex with Compound 39


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the 30S Ribosome in Complex with Compound 39 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg2547

b:81.3
occ:1.00
OP2 A:G731 3.5 58.0 1.0
OP1 A:G730 4.0 61.3 1.0
OP1 A:C1527 4.1 54.8 1.0
N7 A:G731 4.1 50.6 1.0
C8 A:G731 4.5 50.9 1.0
C5' A:G730 4.7 63.4 1.0
P A:G730 4.8 58.8 1.0
O5' A:G730 4.8 61.8 1.0
P A:G731 4.9 58.0 1.0

Magnesium binding site 4 out of 219 in 4b3t

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Magnesium binding site 4 out of 219 in the Crystal Structure of the 30S Ribosome in Complex with Compound 39


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of the 30S Ribosome in Complex with Compound 39 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg2548

b:48.5
occ:1.00
MG A:MG2707 1.6 48.3 1.0
N7 A:G581 2.1 49.8 1.0
C8 A:G581 2.8 53.1 1.0
N7 A:G758 2.9 60.8 1.0
O6 A:G758 3.3 62.1 1.0
C5 A:G581 3.3 51.4 1.0
C5 A:G758 3.6 61.5 1.0
OP2 A:G581 3.8 65.1 1.0
C6 A:G758 3.8 61.2 1.0
O6 A:G581 3.9 54.8 1.0
C8 A:G758 4.0 60.1 1.0
C6 A:G581 4.0 51.0 1.0
N9 A:G581 4.0 55.1 1.0
C4 A:G581 4.3 52.1 1.0
OP2 A:U580 4.5 65.8 1.0
O5' A:G581 4.5 62.4 1.0
P A:G581 4.8 65.7 1.0
C4 A:G758 4.9 61.1 1.0
C5 A:U580 5.0 52.4 1.0

Magnesium binding site 5 out of 219 in 4b3t

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Magnesium binding site 5 out of 219 in the Crystal Structure of the 30S Ribosome in Complex with Compound 39


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of the 30S Ribosome in Complex with Compound 39 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg2549

b:61.1
occ:1.00
O6 A:G260 2.6 72.2 1.0
OP1 A:U264 2.8 58.4 1.0
O4 A:U261 2.9 69.0 1.0
NH2 T:ARG76 3.2 89.1 1.0
C6 A:G260 3.6 71.7 1.0
OP2 A:U264 3.6 60.3 1.0
P A:U264 3.7 60.1 1.0
C4 A:U261 3.9 69.3 1.0
N1 A:G260 4.2 70.6 1.0
N3 A:U261 4.4 69.1 1.0
CZ T:ARG76 4.5 89.8 1.0
C5 A:G260 4.7 72.1 1.0
O5' A:U264 4.7 60.2 1.0
O3' A:A263 4.9 60.2 1.0
N1 A:G189G 4.9 65.9 1.0
OP2 A:G265 4.9 73.3 1.0

Magnesium binding site 6 out of 219 in 4b3t

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Magnesium binding site 6 out of 219 in the Crystal Structure of the 30S Ribosome in Complex with Compound 39


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of the 30S Ribosome in Complex with Compound 39 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg2550

b:63.6
occ:1.00
OP1 A:U387 2.5 62.1 1.0
O2' A:C58 2.9 67.0 1.0
OP1 A:G388 3.5 56.1 1.0
O3' A:C58 3.6 66.8 1.0
C5' A:A59 3.6 67.2 1.0
P A:U387 3.6 61.8 1.0
C5' A:U387 4.1 76.8 1.0
O5' A:U387 4.1 75.9 1.0
OP2 A:U387 4.1 60.4 1.0
C2' A:C58 4.1 67.4 1.0
MG A:MG2633 4.1 72.3 1.0
OP1 A:A59 4.2 74.5 1.0
C3' A:C58 4.3 66.9 1.0
P A:A59 4.4 75.1 1.0
O5' A:A59 4.5 67.4 1.0
C8 A:G388 4.5 68.3 1.0
C4' A:C58 4.6 67.8 1.0
P A:G388 4.6 60.2 1.0
C4' A:A59 4.7 66.5 1.0
N7 A:G388 4.8 68.7 1.0
OP2 A:G388 4.8 61.1 1.0
O3' A:C386 5.0 63.5 1.0

Magnesium binding site 7 out of 219 in 4b3t

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Magnesium binding site 7 out of 219 in the Crystal Structure of the 30S Ribosome in Complex with Compound 39


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of the 30S Ribosome in Complex with Compound 39 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg2551

b:39.0
occ:1.00
O4 A:U12 2.7 57.7 1.0
O6 A:G22 2.7 59.8 1.0
O6 A:G21 3.1 68.3 1.0
O6 A:G11 3.1 56.4 1.0
N4 A:C23 3.6 56.1 1.0
C4 A:U12 3.6 54.8 1.0
C6 A:G21 3.6 65.1 1.0
N3 A:U12 3.8 55.7 1.0
C6 A:G22 3.9 58.7 1.0
N1 A:G21 4.1 65.2 1.0
C6 A:G11 4.1 56.7 1.0
C5 A:G21 4.4 63.7 1.0
N7 A:G22 4.6 57.2 1.0
C5 A:G22 4.6 57.8 1.0
C4 A:C23 4.7 54.1 1.0
N7 A:G21 4.9 64.2 1.0
N1 A:G22 4.9 59.0 1.0
C5 A:U12 5.0 54.6 1.0
N1 A:G11 5.0 56.0 1.0

Magnesium binding site 8 out of 219 in 4b3t

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Magnesium binding site 8 out of 219 in the Crystal Structure of the 30S Ribosome in Complex with Compound 39


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of the 30S Ribosome in Complex with Compound 39 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg2552

b:75.5
occ:1.00
OP2 A:G667 2.8 66.4 1.0
O3' A:A665 2.8 63.4 1.0
O2' A:A665 2.9 57.6 1.0
O5' A:G666 2.9 57.3 1.0
P A:G666 3.4 70.0 1.0
OP1 A:G666 3.7 69.3 1.0
C3' A:A665 3.9 61.3 1.0
C2' A:A665 3.9 59.2 1.0
C5' A:G666 4.0 56.7 1.0
P A:G667 4.2 67.3 1.0
C3' A:G666 4.3 57.9 1.0
C4' A:A665 4.4 62.4 1.0
O2' A:C732 4.6 67.7 1.0
O3' A:G666 4.6 58.6 1.0
C8 A:G666 4.7 64.8 1.0
C4' A:G666 4.7 57.4 1.0
OP2 A:G666 4.8 70.3 1.0
N7 A:G667 4.9 58.3 1.0
N7 A:G666 4.9 64.9 1.0

Magnesium binding site 9 out of 219 in 4b3t

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Magnesium binding site 9 out of 219 in the Crystal Structure of the 30S Ribosome in Complex with Compound 39


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Crystal Structure of the 30S Ribosome in Complex with Compound 39 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg2553

b:0.3
occ:1.00
OP1 A:C883 3.0 54.6 1.0
O3' A:C882 3.5 43.6 1.0
P A:C883 3.8 52.3 1.0
O6 A:G890 4.5 68.7 1.0
OP2 A:G906 4.6 56.0 1.0
C3' A:C882 4.6 43.6 1.0
C4' A:C882 4.6 43.5 1.0
C5' A:C883 4.8 47.0 1.0
O5' A:C883 4.8 45.1 1.0
C5' A:C882 4.9 44.5 1.0
OP2 A:C883 5.0 52.5 1.0

Magnesium binding site 10 out of 219 in 4b3t

Go back to Magnesium Binding Sites List in 4b3t
Magnesium binding site 10 out of 219 in the Crystal Structure of the 30S Ribosome in Complex with Compound 39


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Crystal Structure of the 30S Ribosome in Complex with Compound 39 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg2554

b:67.2
occ:1.00
O6 A:G584 3.5 57.8 1.0
N2 A:G758 3.6 61.4 1.0
OP2 A:A583 3.7 64.5 1.0
O4 A:U757 3.8 66.0 1.0
N7 A:G584 3.9 52.3 1.0
N4 A:C756 3.9 56.4 1.0
O6 A:G585 4.0 57.1 1.0
C2 A:G758 4.2 62.3 1.0
C6 A:G584 4.3 55.4 1.0
N1 A:G758 4.5 61.8 1.0
C5 A:G584 4.5 54.5 1.0
C4 A:U757 4.7 63.1 1.0
N3 A:U757 4.9 62.1 1.0
OP2 A:U582 4.9 73.3 1.0

Reference:

D.Perez-Fernandez, D.Shcherbakov, T.Matt, N.C.Leong, I.Kudyba, S.Duscha, H.Boukari, R.Patak, S.R.Dubakka, K.Lang, M.Meyer, R.Akbergenov, P.Freihofer, S.Vaddi, P.Thommes, V.Ramakrishnan, A.Vasella, E.C.Bottger. 4'-O-Substitutions Determine Selectivity of Aminoglycoside Antibiotics Nat.Commun. V. 5 3112 2014.
ISSN: ESSN 2041-1723
PubMed: 24473108
DOI: 10.1038/NCOMMS4112
Page generated: Thu Aug 15 15:16:25 2024

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