Magnesium in PDB 8uk9: Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog

Protein crystallography data

The structure of Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog, PDB code: 8uk9 was solved by K.Marcus, S.Ghaffari-Kashani, C.L.Gee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.13 / 3.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 95.243, 231.991, 264.511, 90, 90, 90
R / Rfree (%) 25.3 / 26.5

Other elements in 8uk9:

The structure of Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog also contains other interesting chemical elements:

Fluorine (F) 18 atoms
Aluminium (Al) 6 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog (pdb code 8uk9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog, PDB code: 8uk9:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 8uk9

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Magnesium binding site 1 out of 8 in the Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg903

b:65.0
occ:1.00
F3 B:AF3901 2.0 68.5 1.0
OG1 B:THR57 2.1 72.0 1.0
OE2 B:GLU108 2.5 74.9 1.0
O2B B:ADP902 2.6 70.8 1.0
OE1 C:GLU126 2.9 74.5 1.0
CB B:THR57 3.0 72.4 1.0
NH2 C:ARG151 3.3 64.3 1.0
OD2 B:ASP107 3.3 75.7 1.0
OD1 B:ASP107 3.4 77.0 1.0
PB B:ADP902 3.5 70.1 1.0
O3A B:ADP902 3.5 69.8 1.0
AL B:AF3901 3.7 67.9 1.0
CD B:GLU108 3.7 75.1 1.0
O3B B:ADP902 3.7 69.0 1.0
CG2 B:THR57 3.8 72.7 1.0
CG B:ASP107 3.8 76.7 1.0
CD C:GLU126 4.0 70.7 1.0
CA B:THR57 4.3 73.7 1.0
O2A B:ADP902 4.3 71.4 1.0
N B:THR57 4.4 73.5 1.0
OE2 C:GLU126 4.5 70.7 1.0
CG B:GLU108 4.5 75.4 1.0
CZ C:ARG151 4.6 63.1 1.0
PA B:ADP902 4.6 70.7 1.0
OE1 B:GLU108 4.6 75.2 1.0
F2 B:AF3901 4.7 68.5 1.0
NH2 B:ARG205 4.7 67.7 1.0
F1 B:AF3901 4.7 66.9 1.0
O1B B:ADP902 4.9 70.7 1.0
OG1 B:THR137 5.0 76.1 1.0

Magnesium binding site 2 out of 8 in 8uk9

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Magnesium binding site 2 out of 8 in the Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg401

b:48.3
occ:1.00
OG1 C:THR57 2.1 55.8 1.0
O2B C:ADP403 2.2 54.6 1.0
OE2 C:GLU108 2.6 69.4 1.0
F1 C:AF3402 2.7 54.6 1.0
OE2 D:GLU126 3.0 60.7 1.0
NH2 D:ARG151 3.2 54.6 1.0
CB C:THR57 3.2 56.7 1.0
F2 C:AF3402 3.5 55.8 1.0
PB C:ADP403 3.5 55.2 1.0
OD1 C:ASP107 3.5 58.3 1.0
AL C:AF3402 3.5 55.0 1.0
OD2 C:ASP107 3.7 65.2 1.0
CD C:GLU108 3.8 67.1 1.0
CG2 C:THR57 3.8 57.0 1.0
O1B C:ADP403 3.9 54.9 1.0
O3A C:ADP403 3.9 56.3 1.0
CG C:ASP107 4.0 58.7 1.0
O2A C:ADP403 4.2 57.4 1.0
CD D:GLU126 4.2 59.7 1.0
CG C:GLU108 4.4 63.4 1.0
CG2 C:THR137 4.4 55.2 1.0
CZ D:ARG151 4.5 54.0 1.0
CA C:THR57 4.5 56.8 1.0
N C:THR57 4.6 56.6 1.0
PA C:ADP403 4.7 57.4 1.0
O3B C:ADP403 4.7 55.7 1.0
OE1 C:GLU108 4.8 62.7 1.0
OE1 D:GLU126 4.9 60.0 1.0

Magnesium binding site 3 out of 8 in 8uk9

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Magnesium binding site 3 out of 8 in the Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg401

b:59.2
occ:1.00
F3 D:AF3402 2.0 70.3 1.0
O2B D:ADP403 2.1 58.3 1.0
OG1 D:THR57 2.1 58.6 1.0
OE2 D:GLU108 2.9 70.9 1.0
NH2 E:ARG151 3.0 61.5 1.0
CB D:THR57 3.2 59.7 1.0
OD2 D:ASP107 3.3 67.3 1.0
PB D:ADP403 3.4 72.7 1.0
OE1 E:GLU126 3.4 64.5 1.0
O2A D:ADP403 3.6 56.4 1.0
AL D:AF3402 3.6 56.1 1.0
OD1 D:ASP107 3.7 64.2 1.0
CG2 D:THR57 3.8 59.9 1.0
O3A D:ADP403 3.8 70.1 1.0
O1B D:ADP403 3.8 56.5 1.0
CG D:ASP107 3.9 63.2 1.0
CD D:GLU108 3.9 71.6 1.0
CZ E:ARG151 4.2 61.3 1.0
CD E:GLU126 4.2 66.1 1.0
PA D:ADP403 4.3 60.3 1.0
OE2 E:GLU126 4.3 65.1 1.0
CA D:THR57 4.5 60.0 1.0
CG D:GLU108 4.5 68.6 1.0
F1 D:AF3402 4.5 62.8 1.0
CG2 D:THR137 4.6 57.2 1.0
O3B D:ADP403 4.6 61.5 1.0
N D:THR57 4.6 59.9 1.0
NH1 E:ARG151 4.6 61.3 1.0
F2 D:AF3402 4.7 52.3 1.0
OE1 D:GLU108 4.8 72.3 1.0
NH2 D:ARG205 4.8 65.6 1.0
NH1 D:ARG205 4.9 70.0 1.0

Magnesium binding site 4 out of 8 in 8uk9

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Magnesium binding site 4 out of 8 in the Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg402

b:79.2
occ:1.00
OG1 E:THR57 2.1 83.4 1.0
O3B E:ADP401 2.3 84.3 1.0
O1A E:ADP401 3.1 104.0 1.0
CB E:THR57 3.4 81.7 1.0
OD2 E:ASP107 3.4 82.2 1.0
PB E:ADP401 3.5 98.1 1.0
OE2 E:GLU108 3.5 95.9 1.0
O1B E:ADP401 3.7 92.0 1.0
CG2 E:THR57 4.1 81.9 1.0
PA E:ADP401 4.1 87.9 1.0
CG E:ASP107 4.2 80.6 1.0
OD1 E:ASP107 4.2 78.7 1.0
CD E:GLU108 4.3 92.9 1.0
O3A E:ADP401 4.3 85.6 1.0
N E:THR57 4.4 80.8 1.0
CA E:THR57 4.5 79.8 1.0
O2A E:ADP401 4.6 84.0 1.0
O2B E:ADP401 4.7 103.4 1.0
OD2 A:ASP137 4.8 122.9 1.0
OE1 E:GLU108 4.8 91.7 1.0

Magnesium binding site 5 out of 8 in 8uk9

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Magnesium binding site 5 out of 8 in the Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Mg401

b:96.7
occ:1.00
O2B K:ADP403 2.2 103.6 1.0
CG2 K:THR57 2.4 106.1 1.0
F3 K:AF3402 2.4 100.9 1.0
OE2 K:GLU108 2.7 105.7 1.0
OE1 L:GLU126 3.2 100.3 1.0
OG1 K:THR57 3.3 109.1 1.0
CB K:THR57 3.4 108.1 1.0
NH2 L:ARG151 3.4 101.8 1.0
AL K:AF3402 3.5 101.1 1.0
PB K:ADP403 3.5 105.1 1.0
CD K:GLU108 3.7 104.8 1.0
F2 K:AF3402 3.7 102.0 1.0
O3A K:ADP403 3.7 106.7 1.0
OD1 K:ASP107 3.8 109.2 1.0
OD2 K:ASP107 3.8 109.4 1.0
CD L:GLU126 4.1 101.4 1.0
CG K:ASP107 4.1 108.9 1.0
OE2 L:GLU126 4.3 101.7 1.0
CG K:GLU108 4.3 104.7 1.0
O1B K:ADP403 4.4 104.8 1.0
O3B K:ADP403 4.5 106.2 1.0
OE1 K:GLU108 4.5 104.2 1.0
NH2 K:ARG205 4.6 104.1 1.0
CA K:THR57 4.7 109.0 1.0
CZ L:ARG151 4.7 97.2 1.0
N K:THR57 4.7 108.6 1.0
OG1 K:THR137 4.9 107.0 1.0

Magnesium binding site 6 out of 8 in 8uk9

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Magnesium binding site 6 out of 8 in the Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Mg401

b:84.8
occ:1.00
OG1 L:THR57 2.0 89.8 1.0
F3 L:AF3402 2.0 85.8 1.0
OE2 L:GLU108 2.6 94.6 1.0
O2B L:ADP403 2.7 89.0 1.0
AL L:AF3402 3.1 86.3 1.0
CB L:THR57 3.1 91.0 1.0
NH2 M:ARG151 3.2 86.3 1.0
F1 L:AF3402 3.3 87.4 1.0
CG2 L:THR57 3.6 91.1 1.0
OE1 M:GLU126 3.7 95.0 1.0
OD2 L:ASP107 3.7 97.2 1.0
OD1 L:ASP107 3.7 96.4 1.0
O2A L:ADP403 3.8 91.8 1.0
CD L:GLU108 3.8 93.6 1.0
OE2 M:GLU126 3.8 90.8 1.0
PB L:ADP403 3.9 89.9 1.0
CG L:ASP107 4.1 96.5 1.0
CD M:GLU126 4.1 92.2 1.0
O3B L:ADP403 4.1 89.7 1.0
NH1 L:ARG205 4.3 88.7 1.0
CG2 L:THR137 4.4 95.6 1.0
CA L:THR57 4.4 91.0 1.0
CZ M:ARG151 4.4 85.2 1.0
CG L:GLU108 4.4 93.3 1.0
F2 L:AF3402 4.6 85.5 1.0
N L:THR57 4.6 90.8 1.0
O3A L:ADP403 4.7 91.6 1.0
PA L:ADP403 4.8 92.4 1.0
OE1 L:GLU108 4.8 93.0 1.0
NH1 M:ARG151 4.8 84.2 1.0

Magnesium binding site 7 out of 8 in 8uk9

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Magnesium binding site 7 out of 8 in the Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Mg401

b:84.7
occ:1.00
OG1 M:THR57 2.2 88.1 1.0
OE2 M:GLU108 2.5 90.0 1.0
F3 M:AF3402 2.8 83.3 1.0
O3B M:ADP403 3.0 90.3 1.0
F1 M:AF3402 3.0 85.5 1.0
CB M:THR57 3.2 88.7 1.0
OE2 N:GLU126 3.3 90.0 1.0
O2B M:ADP403 3.4 88.3 1.0
AL M:AF3402 3.4 84.2 1.0
O2A M:ADP403 3.7 93.2 1.0
CG2 M:THR57 3.7 89.1 1.0
CD M:GLU108 3.7 89.8 1.0
PB M:ADP403 3.7 91.6 1.0
OD1 M:ASP107 3.8 88.0 1.0
OD2 M:ASP107 3.8 86.6 1.0
NH2 N:ARG151 4.2 91.0 1.0
CG M:ASP107 4.2 86.9 1.0
NH2 M:ARG205 4.2 96.3 1.0
CG M:GLU108 4.3 87.7 1.0
NH1 N:ARG151 4.5 92.0 1.0
O3A M:ADP403 4.5 94.3 1.0
CA M:THR57 4.5 91.6 1.0
CD N:GLU126 4.5 93.4 1.0
PA M:ADP403 4.6 90.8 1.0
CG2 M:THR137 4.6 83.0 1.0
OE1 M:GLU108 4.7 88.0 1.0
O N:ARG122 4.7 97.8 1.0
N M:THR57 4.7 93.0 1.0
CZ N:ARG151 4.8 92.2 1.0

Magnesium binding site 8 out of 8 in 8uk9

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Magnesium binding site 8 out of 8 in the Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Mg402

b:140.1
occ:1.00
O2B N:ADP401 2.5 148.6 1.0
OE2 N:GLU108 2.5 144.1 1.0
OG1 N:THR57 2.8 146.0 1.0
O2A N:ADP401 3.4 153.5 1.0
PB N:ADP401 3.6 155.3 1.0
CD N:GLU108 3.7 144.2 1.0
O3B N:ADP401 3.8 163.6 1.0
CB N:THR57 3.9 143.6 1.0
NH2 N:ARG205 4.1 177.6 1.0
OD2 N:ASP107 4.3 138.2 1.0
OE1 N:GLU108 4.5 145.6 1.0
PA N:ADP401 4.5 151.7 1.0
O3A N:ADP401 4.5 148.1 1.0
OD1 N:ASP107 4.6 137.1 1.0
OD2 Q:ASP137 4.7 185.2 1.0
CG N:GLU108 4.7 141.7 1.0
N N:THR57 4.7 143.8 1.0
O1B N:ADP401 4.8 149.0 1.0
CG2 N:THR57 4.9 141.3 1.0
CG N:ASP107 4.9 136.8 1.0
CZ N:ARG205 4.9 177.5 1.0
CA N:THR57 5.0 141.7 1.0

Reference:

K.Marcus, Y.Huang, S.Subramanian, C.L.Gee, K.Gorday, S.Ghaffari-Kashani, X.R.Luo, L.Zheng, M.O'donnel, S.Subramanian, J.Kuriyan. Autoinhibition of A Clamp-Loader Atpase Revealed By Deep Mutagenesis and Cryo-Em To Be Published.
Page generated: Fri Oct 4 21:21:02 2024

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