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Magnesium in PDB 1un6: The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition

Protein crystallography data

The structure of The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition, PDB code: 1un6 was solved by D.Lu, M.A.Searles, A.Klug, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.19 / 3.10
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 58.598, 191.593, 79.770, 90.00, 101.51, 90.00
R / Rfree (%) 21.6 / 25.9

Other elements in 1un6:

The structure of The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition also contains other interesting chemical elements:

Zinc (Zn) 8 atoms

Magnesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Magnesium atom in the The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition (pdb code 1un6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 13 binding sites of Magnesium where determined in the The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition, PDB code: 1un6:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 13 in 1un6

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Magnesium binding site 1 out of 13 in the The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition


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Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg306

b:83.5
occ:1.00
N B:ASP168 3.1 81.3 1.0
CA B:ASP168 3.3 82.1 1.0
OD2 B:ASP168 3.3 85.5 1.0
O B:CYS164 3.4 60.2 1.0
O B:CYS170 3.7 63.2 1.0
CA B:LYS165 3.8 64.2 1.0
CG B:ASP168 4.2 85.2 1.0
C B:ASP168 4.3 81.2 1.0
N B:ASP167 4.3 75.2 1.0
C B:LYS165 4.3 65.3 1.0
C B:ASP167 4.3 79.6 1.0
CB B:ASP168 4.3 83.7 1.0
N B:LYS166 4.3 66.9 1.0
C B:CYS164 4.4 59.1 1.0
N B:LYS165 4.6 61.4 1.0
CB B:LYS165 4.8 64.5 1.0
CA B:ASP167 4.8 78.5 1.0
O B:ASP168 4.8 82.1 1.0
C B:CYS170 4.9 63.2 1.0
N B:SER169 5.0 78.4 1.0
CG B:LYS165 5.0 64.6 1.0

Magnesium binding site 2 out of 13 in 1un6

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Magnesium binding site 2 out of 13 in the The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg307

b:54.5
occ:1.00
O B:PRO163 2.9 53.6 1.0
NZ B:LYS165 3.3 69.1 1.0
C B:TYR162 4.0 42.6 1.0
N B:PRO163 4.0 48.6 1.0
C B:PRO163 4.0 52.9 1.0
CE1 B:TYR180 4.0 40.0 1.0
CB B:TYR162 4.1 35.4 1.0
CA B:TYR162 4.1 38.0 1.0
CZ B:TYR180 4.2 42.8 1.0
CD1 B:TYR180 4.2 39.2 1.0
CE B:LYS165 4.3 68.7 1.0
CD B:PRO163 4.4 50.7 1.0
O B:TYR162 4.4 40.5 1.0
CE2 B:TYR180 4.4 44.1 1.0
CG B:TYR180 4.5 41.3 1.0
CD2 B:TYR180 4.6 44.6 1.0
CA B:PRO163 4.6 50.6 1.0
CZ3 B:TRP177 4.6 38.5 1.0
OH B:TYR180 4.7 44.0 1.0
CD1 B:TYR162 4.7 23.5 1.0
CD B:LYS165 4.8 66.4 1.0
CG B:TYR162 5.0 28.1 1.0

Magnesium binding site 3 out of 13 in 1un6

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Magnesium binding site 3 out of 13 in the The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg308

b:62.3
occ:1.00
O B:CYS142 2.6 77.3 1.0
O B:CYS137 2.8 62.5 1.0
O B:HIS139 3.1 70.4 1.0
C B:CYS142 3.5 77.5 1.0
N B:CYS142 3.8 79.3 1.0
C B:CYS137 4.0 62.0 1.0
C B:HIS139 4.1 71.4 1.0
O B:PRO138 4.1 63.5 1.0
CA B:CYS142 4.1 77.5 1.0
OD1 B:ASP143 4.3 88.1 1.0
C B:PRO138 4.4 64.6 1.0
N B:GLY141 4.4 77.4 1.0
N B:ASP143 4.5 78.2 1.0
CB B:CYS142 4.6 76.2 1.0
N B:HIS139 4.8 67.9 1.0
CA B:ASP143 4.8 79.8 1.0
C B:GLY141 4.8 79.7 1.0
CA B:GLU140 4.8 76.7 1.0
N B:GLU140 4.8 73.6 1.0
CA B:PRO138 4.9 63.2 1.0
C B:GLU140 4.9 77.1 1.0
N B:PRO138 4.9 62.9 1.0
CA B:CYS137 4.9 60.0 1.0

Magnesium binding site 4 out of 13 in 1un6

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Magnesium binding site 4 out of 13 in the The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg342

b:53.2
occ:1.00
O6 E:G7 3.2 0.8 1.0
C6 E:G7 4.1 0.7 1.0
N7 E:G7 4.2 0.8 1.0
O6 E:G110 4.2 0.9 1.0
N4 E:C6 4.3 0.3 1.0
O6 E:G8 4.4 0.1 1.0
C5 E:G7 4.5 0.6 1.0
C5 E:C6 4.6 0.9 1.0
C4 E:C6 4.8 1.0 1.0

Magnesium binding site 5 out of 13 in 1un6

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Magnesium binding site 5 out of 13 in the The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg344

b:69.6
occ:1.00
O C:HIS139 2.7 90.0 1.0
O C:CYS137 3.1 85.0 1.0
N C:CYS142 3.4 94.4 1.0
O C:CYS142 3.6 96.2 1.0
C C:CYS142 3.8 95.2 1.0
N C:GLY141 3.8 95.2 1.0
C C:HIS139 3.9 90.6 1.0
CA C:CYS142 4.1 93.7 1.0
C C:CYS137 4.2 86.1 1.0
C C:GLU140 4.3 95.5 1.0
C C:GLY141 4.3 94.5 1.0
CA C:GLY141 4.3 94.5 1.0
CB C:CYS142 4.4 91.2 1.0
C C:PRO138 4.5 86.6 1.0
O C:PRO138 4.5 86.8 1.0
CA C:GLU140 4.5 95.3 1.0
N C:ASP143 4.6 96.2 1.0
N C:GLU140 4.7 92.8 1.0
N C:HIS139 4.7 87.6 1.0
CA C:PRO138 4.9 86.2 1.0
N C:PRO138 5.0 86.1 1.0
CA C:HIS139 5.0 88.8 1.0

Magnesium binding site 6 out of 13 in 1un6

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Magnesium binding site 6 out of 13 in the The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg341

b:93.4
occ:1.00
O6 E:G113 3.6 0.6 1.0
O6 E:G114 3.8 0.7 1.0
N7 E:G113 3.9 0.7 1.0
C6 E:G113 4.1 0.0 1.0
C5 E:G113 4.2 0.0 1.0
C6 E:G114 4.8 0.2 1.0
N7 E:G114 4.9 1.0 1.0
C8 E:G113 4.9 0.3 1.0
C5 E:C112 5.0 0.3 1.0

Magnesium binding site 7 out of 13 in 1un6

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Magnesium binding site 7 out of 13 in the The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg343

b:83.6
occ:1.00
O6 E:G97 3.1 0.2 1.0
N7 E:G97 3.5 0.8 1.0
O6 E:G98 3.6 0.5 1.0
C6 E:G97 3.8 0.0 1.0
C5 E:G97 3.9 0.9 1.0
N7 E:G98 4.0 0.3 1.0
O6 E:G99 4.0 0.4 1.0
O4 E:U96 4.1 0.6 1.0
C5 E:U96 4.2 0.1 1.0
C4 E:U96 4.4 0.6 1.0
C6 E:G98 4.4 0.0 1.0
C6 E:G99 4.5 0.9 1.0
C5 E:G98 4.6 0.8 1.0
C8 E:G97 4.6 0.4 1.0
N1 E:G99 4.8 0.1 1.0
N1 E:G97 5.0 0.3 1.0

Magnesium binding site 8 out of 13 in 1un6

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Magnesium binding site 8 out of 13 in the The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg301

b:54.4
occ:1.00
N7 F:G7 3.7 50.6 1.0
O6 F:G7 4.0 45.3 1.0
O6 F:G8 4.2 46.9 1.0
C5 F:G7 4.5 47.1 1.0
C6 F:G7 4.6 45.1 1.0
N7 F:G8 4.7 46.8 1.0
C8 F:G7 4.7 53.0 1.0
N4 F:C6 4.8 54.6 1.0

Magnesium binding site 9 out of 13 in 1un6

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Magnesium binding site 9 out of 13 in the The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg302

b:59.8
occ:1.00
O6 F:G98 3.7 68.1 1.0
O6 F:G97 3.9 49.6 1.0
N7 F:G98 4.0 61.6 1.0
N7 F:G97 4.1 48.6 1.0
O6 F:G99 4.2 72.2 1.0
C6 F:G98 4.5 64.8 1.0
C6 F:G97 4.5 47.7 1.0
OH B:TYR105 4.6 63.6 1.0
C5 F:G97 4.6 48.4 1.0
C5 F:G98 4.6 63.7 1.0
C6 F:G99 4.8 68.6 1.0
O2' F:G75 4.9 67.5 1.0

Magnesium binding site 10 out of 13 in 1un6

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Magnesium binding site 10 out of 13 in the The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of The Crystal Structure of A Zinc Finger - Rna Complex Reveals Two Modes of Molecular Recognition within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg303

b:61.7
occ:1.00
O6 F:G114 3.6 51.7 1.0
O6 F:G113 4.3 43.9 1.0
N7 F:G113 4.6 45.0 1.0
O6 F:G4 4.7 51.5 1.0
C6 F:G114 4.8 49.3 1.0
N4 F:C115 4.8 59.8 1.0
N4 F:C5 5.0 50.7 1.0
C6 F:G113 5.0 42.3 1.0

Reference:

D.Lu, M.A.Searles, A.Klug. Crystal Structure of A Zinc-Finger-Rna Complex Reveals Two Modes of Molecular Recognition Nature V. 426 96 2003.
ISSN: ISSN 0028-0836
PubMed: 14603324
DOI: 10.1038/NATURE02088
Page generated: Mon Dec 14 06:53:20 2020

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