Magnesium in PDB 6cap: Crystal Structure of 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin

Protein crystallography data

The structure of Crystal Structure of 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin, PDB code: 6cap was solved by H.Demirci, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.91 / 3.40
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 400.970, 400.970, 175.050, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 23

Other elements in 6cap:

The structure of Crystal Structure of 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Magnesium Binding Sites:

Magnesium binding site 1 out of 252 in 6cap

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Magnesium binding site 1 out of 252 in the Crystal Structure of 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin


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Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1601

b:98.7
occ:1.00
N3 A:C381 3.8 0.2 1.0
O2 A:C381 3.9 0.7 1.0
C2 A:C381 4.3 1.0 1.0
O4 A:U65 4.4 0.7 1.0
O2' A:A382 4.8 0.9 1.0
C4 A:C381 4.8 0.8 1.0
N3 A:A382 4.9 0.1 1.0
N4 A:C381 4.9 0.7 1.0

Magnesium binding site 2 out of 252 in 6cap

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Magnesium binding site 2 out of 252 in the Crystal Structure of 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin


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 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1602

b:0.6
occ:1.00
O A:HOH2080 2.1 0.1 1.0
O A:HOH2028 2.1 0.9 1.0
O6 A:G377 3.1 0.2 1.0
N7 A:G376 3.4 0.9 1.0
O6 A:G376 3.4 0.7 1.0
C5 A:G376 3.9 0.7 1.0
C6 A:G376 3.9 0.1 1.0
C6 A:G377 4.0 0.8 1.0
C8 A:G376 4.4 1.0 1.0
N7 A:G377 4.5 0.3 1.0
O4 A:U375 4.6 0.2 1.0
C5 A:G377 4.6 0.5 1.0
C5 A:U375 4.7 0.6 1.0
C4 A:U375 4.7 0.9 1.0

Magnesium binding site 3 out of 252 in 6cap

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Magnesium binding site 3 out of 252 in the Crystal Structure of 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin


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 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1603

b:0.6
occ:1.00
O A:HOH2022 2.1 0.5 1.0
O O:HOH101 2.1 0.1 1.0
OP2 A:A753 3.3 0.6 1.0
O6 A:G650 3.6 0.9 1.0
N7 A:G650 4.0 0.1 1.0
P A:A753 4.2 0.5 1.0
O6 A:G649 4.3 0.0 1.0
OP1 A:A753 4.3 0.5 1.0
C6 A:G650 4.5 0.6 1.0
N7 A:G649 4.5 0.3 1.0
C5 A:G650 4.6 0.5 1.0
C6 A:G649 4.9 0.9 1.0
O5' A:A753 4.9 0.0 1.0
C5 A:G649 5.0 0.6 1.0

Magnesium binding site 4 out of 252 in 6cap

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Magnesium binding site 4 out of 252 in the Crystal Structure of 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin


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 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1604

b:0.5
occ:1.00
O A:HOH1907 2.1 0.5 1.0
O A:HOH2035 2.1 0.1 1.0
OP2 A:G750 2.8 0.3 1.0
OP1 A:C749 3.1 0.8 1.0
OP2 A:C749 3.2 0.3 1.0
P A:C749 3.6 0.7 1.0
P A:G750 3.9 0.8 1.0
OP1 A:G750 4.2 0.6 1.0
O6 A:G752 4.6 0.1 1.0
O3' A:C748 4.7 1.0 1.0
O2' A:C748 4.9 0.8 1.0
O5' A:G750 4.9 0.2 1.0
O5' A:C749 4.9 1.0 1.0

Magnesium binding site 5 out of 252 in 6cap

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Magnesium binding site 5 out of 252 in the Crystal Structure of 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin


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 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1605

b:89.2
occ:1.00
O6 A:G742 3.4 0.3 1.0
O6 A:G741 3.4 0.9 1.0
MG A:MG1730 3.4 0.4 1.0
O6 A:G664 3.8 1.0 1.0
N6 A:A663 4.2 0.4 1.0
C6 A:G742 4.3 0.9 1.0
C6 A:G741 4.3 1.0 1.0
N7 A:G741 4.5 0.5 1.0
O4 A:U740 4.7 0.6 1.0
C5 A:G741 4.8 0.3 1.0
C6 A:G664 4.9 0.2 1.0

Magnesium binding site 6 out of 252 in 6cap

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Magnesium binding site 6 out of 252 in the Crystal Structure of 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin


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 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1606

b:0.4
occ:1.00
O A:HOH1905 2.1 0.9 1.0
O A:HOH1909 2.1 0.6 1.0
O A:HOH1925 2.1 0.6 1.0
O A:HOH1928 2.1 0.2 1.0
OP2 A:G117 2.7 0.1 1.0
OP2 A:G289 3.1 0.6 1.0
OP1 A:A116 3.5 0.7 1.0
P A:G117 3.8 0.1 1.0
O4 A:U118 4.0 88.2 1.0
O5' A:A288 4.0 0.3 1.0
C3' A:A288 4.1 0.1 1.0
P A:G289 4.2 0.8 1.0
OP1 A:G117 4.2 0.3 1.0
O3' A:A116 4.2 0.0 1.0
C8 A:A288 4.2 0.1 1.0
OP2 A:A116 4.3 1.0 1.0
OP2 A:A288 4.4 0.9 1.0
C5 A:U118 4.4 89.0 1.0
N7 A:G117 4.4 0.6 1.0
P A:A116 4.4 0.6 1.0
O3' A:A288 4.5 0.9 1.0
C4 A:U118 4.6 89.0 1.0
OP1 A:G289 4.6 95.9 1.0
N7 A:A288 4.6 0.2 1.0
C3' A:A116 4.6 0.8 1.0
P A:A288 4.8 0.7 1.0
C8 A:G117 4.8 0.1 1.0
C2' A:A288 4.9 0.1 1.0
N9 A:A288 4.9 0.8 1.0

Magnesium binding site 7 out of 252 in 6cap

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Magnesium binding site 7 out of 252 in the Crystal Structure of 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin


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 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1607

b:90.6
occ:1.00
OP2 A:C48 2.9 0.9 1.0
OP1 A:G115 2.9 0.2 1.0
OP2 A:U49 3.3 0.9 1.0
O5' A:C48 3.6 0.7 1.0
P A:C48 3.8 0.5 1.0
OP1 A:A51 3.9 0.6 1.0
P A:G115 4.2 0.8 1.0
O3' A:C47 4.2 0.9 1.0
O3' A:U114 4.3 1.0 1.0
C5' A:G115 4.6 0.3 1.0
C5' A:C48 4.7 0.5 1.0
P A:U49 4.8 0.4 1.0
O2' A:C47 4.8 0.0 1.0
O5' A:G115 4.9 0.2 1.0

Magnesium binding site 8 out of 252 in 6cap

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Magnesium binding site 8 out of 252 in the Crystal Structure of 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin


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 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1608

b:0.0
occ:1.00
O A:HOH2017 2.1 0.4 1.0
O A:HOH2013 2.1 0.8 1.0
O A:HOH2026 2.1 0.2 1.0
O A:HOH2062 2.1 0.7 1.0
N7 A:G752 3.8 0.1 1.0
OP2 A:U652 4.1 0.8 1.0
OP2 A:U751 4.1 0.4 1.0
OP1 A:C651 4.4 0.0 1.0
C8 A:G752 4.5 0.2 1.0
OP1 A:U751 4.6 0.8 1.0
OP2 A:G752 4.8 0.0 1.0
P A:U751 4.8 0.9 1.0
C5 A:G752 4.9 0.7 1.0
O6 A:G752 4.9 0.1 1.0

Magnesium binding site 9 out of 252 in 6cap

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Magnesium binding site 9 out of 252 in the Crystal Structure of 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin


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 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1609

b:84.6
occ:1.00
O A:HOH2059 2.1 73.2 1.0
O A:HOH2075 2.1 83.8 1.0
O A:HOH2076 2.1 94.2 1.0
O6 A:G799 3.4 0.3 1.0
O6 A:G800 3.5 0.3 1.0
C6 A:G800 4.1 0.1 1.0
O A:HOH2012 4.1 0.5 1.0
N7 A:G799 4.2 0.7 1.0
OP2 A:A781 4.3 0.4 1.0
C6 A:G799 4.3 0.5 1.0
N1 A:G800 4.4 0.5 1.0
OP1 A:A781 4.6 0.3 1.0
C5 A:G799 4.6 0.7 1.0
N7 A:G798 4.8 98.1 1.0
O6 A:G798 4.8 99.5 1.0
P A:A781 5.0 1.0 1.0

Magnesium binding site 10 out of 252 in 6cap

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Magnesium binding site 10 out of 252 in the Crystal Structure of 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin


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 30S Ribosomal Subunit From Thermus Thermophilus in Complex with Sisomicin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1610

b:0.1
occ:1.00
O2 A:U1506 3.0 0.2 1.0
O2' A:C795 3.3 0.8 1.0
O3' A:C795 3.3 0.9 1.0
OP1 A:C796 3.7 0.6 1.0
C1' A:U1506 3.9 0.7 1.0
C2 A:U1506 3.9 0.3 1.0
O4' A:U1506 4.2 0.4 1.0
P A:C796 4.2 0.0 1.0
C3' A:C795 4.2 97.6 1.0
NZ K:LYS123 4.3 0.5 1.0
C2' A:C795 4.3 0.3 1.0
N1 A:U1506 4.4 99.2 1.0
O3' A:U1506 4.6 0.7 1.0
C4' A:C795 4.7 95.9 1.0
CE K:LYS123 4.7 0.4 1.0
N3 A:U1506 5.0 0.6 1.0
C4' A:U1506 5.0 0.6 1.0

Reference:

H.Demirci, H.Demirci. N/A N/A.
Page generated: Mon Dec 14 22:28:11 2020

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