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Magnesium in PDB 9e29: Expanded Structure of Cpaf with Two Atps and Four Adps (Saturated Atp Dataset)

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Expanded Structure of Cpaf with Two Atps and Four Adps (Saturated Atp Dataset) (pdb code 9e29). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Expanded Structure of Cpaf with Two Atps and Four Adps (Saturated Atp Dataset), PDB code: 9e29:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 9e29

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Magnesium binding site 1 out of 6 in the Expanded Structure of Cpaf with Two Atps and Four Adps (Saturated Atp Dataset)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Expanded Structure of Cpaf with Two Atps and Four Adps (Saturated Atp Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:107.8
occ:1.00
O2B A:ATP602 1.8 129.2 1.0
OG1 A:THR288 2.3 106.9 1.0
OE2 A:GLU312 2.8 150.2 1.0
OE1 A:GLU357 3.1 134.1 1.0
PB A:ATP602 3.2 111.8 1.0
CB A:THR288 3.6 106.0 1.0
CD A:GLU312 3.6 149.7 1.0
OE1 A:GLU312 3.7 152.3 1.0
O2G A:ATP602 3.8 134.9 1.0
O3B A:ATP602 3.9 127.1 1.0
O1B A:ATP602 3.9 119.1 1.0
O3A A:ATP602 4.2 112.5 1.0
CD A:GLU357 4.3 138.6 1.0
CG2 A:THR288 4.5 109.6 1.0
N A:THR288 4.5 105.5 1.0
CA A:THR288 4.5 97.8 1.0
PG A:ATP602 4.6 153.6 1.0
NH2 A:ARG217 4.7 156.3 1.0
O A:GLY356 4.7 106.7 1.0
NZ A:LYS287 4.7 128.5 1.0
OG1 A:THR380 4.8 113.8 1.0
CB A:GLU357 5.0 129.9 1.0

Magnesium binding site 2 out of 6 in 9e29

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Magnesium binding site 2 out of 6 in the Expanded Structure of Cpaf with Two Atps and Four Adps (Saturated Atp Dataset)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Expanded Structure of Cpaf with Two Atps and Four Adps (Saturated Atp Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:124.2
occ:1.00
O1B B:ADP602 1.8 167.3 1.0
O3B B:ADP602 2.4 161.9 1.0
PB B:ADP602 2.5 167.3 1.0
OG1 B:THR288 3.0 141.6 1.0
O2A B:ADP602 3.3 162.9 1.0
OE1 B:GLU312 3.5 168.6 1.0
O2B B:ADP602 3.6 163.3 1.0
O3A B:ADP602 3.7 162.5 1.0
CB B:THR288 3.9 143.7 1.0
PA B:ADP602 3.9 165.5 1.0
NZ B:LYS287 4.0 157.6 1.0
OE2 B:GLU312 4.0 170.6 1.0
CD B:GLU312 4.2 170.4 1.0
O1A B:ADP602 4.3 166.0 1.0
N B:THR288 4.7 140.1 1.0
CG2 B:THR288 4.9 142.7 1.0
CA B:THR288 4.9 141.2 1.0
OE1 B:GLU357 5.0 158.8 1.0

Magnesium binding site 3 out of 6 in 9e29

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Magnesium binding site 3 out of 6 in the Expanded Structure of Cpaf with Two Atps and Four Adps (Saturated Atp Dataset)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Expanded Structure of Cpaf with Two Atps and Four Adps (Saturated Atp Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg601

b:120.8
occ:1.00
OG1 C:THR288 2.4 143.7 1.0
O3B C:ADP602 2.5 161.7 1.0
OE1 C:GLU312 3.0 162.1 1.0
O3A C:ADP602 3.1 164.1 1.0
PB C:ADP602 3.1 159.7 1.0
O2B C:ADP602 3.2 160.0 1.0
OE2 C:GLU312 3.5 164.8 1.0
CB C:THR288 3.6 143.2 1.0
CD C:GLU312 3.6 165.7 1.0
PA C:ADP602 3.9 171.7 1.0
O1A C:ADP602 4.0 160.8 1.0
O2A C:ADP602 4.0 169.6 1.0
N C:THR288 4.3 139.2 1.0
CG2 C:THR288 4.5 141.2 1.0
CA C:THR288 4.6 140.1 1.0
O1B C:ADP602 4.6 156.8 1.0
NZ C:LYS287 4.6 138.5 1.0
CE C:LYS287 4.7 140.5 1.0

Magnesium binding site 4 out of 6 in 9e29

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Magnesium binding site 4 out of 6 in the Expanded Structure of Cpaf with Two Atps and Four Adps (Saturated Atp Dataset)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Expanded Structure of Cpaf with Two Atps and Four Adps (Saturated Atp Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg601

b:122.3
occ:1.00
O2B D:ATP602 1.8 124.9 1.0
OG1 D:THR288 2.2 117.7 1.0
OE2 D:GLU312 3.0 158.3 1.0
PB D:ATP602 3.2 99.4 1.0
O1G D:ATP602 3.4 133.3 1.0
CB D:THR288 3.4 112.2 1.0
OE1 D:GLU357 3.5 130.1 1.0
O3B D:ATP602 3.7 121.3 1.0
O1B D:ATP602 4.0 118.9 1.0
CD D:GLU312 4.0 155.2 1.0
PG D:ATP602 4.0 147.8 1.0
NH1 D:ARG217 4.1 153.8 1.0
OE1 D:GLU312 4.2 154.2 1.0
N D:THR288 4.3 111.9 1.0
O3A D:ATP602 4.3 110.0 1.0
CA D:THR288 4.4 104.8 1.0
CG2 D:THR288 4.4 115.0 1.0
O3G D:ATP602 4.5 135.7 1.0
NZ D:LYS287 4.5 130.5 1.0
O2A D:ATP602 4.5 131.7 1.0
CD D:GLU357 4.8 135.7 1.0
O D:GLY356 4.9 114.4 1.0
PA D:ATP602 5.0 120.3 1.0

Magnesium binding site 5 out of 6 in 9e29

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Magnesium binding site 5 out of 6 in the Expanded Structure of Cpaf with Two Atps and Four Adps (Saturated Atp Dataset)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Expanded Structure of Cpaf with Two Atps and Four Adps (Saturated Atp Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg602

b:160.5
occ:1.00
O3B E:ADP601 1.8 163.7 1.0
O1B E:ADP601 1.9 166.4 1.0
PB E:ADP601 2.2 169.7 1.0
OG1 E:THR288 2.4 140.7 1.0
O2A E:ADP601 2.6 165.4 1.0
O3A E:ADP601 3.2 165.9 1.0
PA E:ADP601 3.2 165.4 1.0
CB E:THR288 3.2 142.2 1.0
OE2 E:GLU312 3.5 167.5 1.0
O2B E:ADP601 3.5 165.6 1.0
NZ E:LYS287 3.7 160.4 1.0
O1A E:ADP601 3.7 163.0 1.0
OE1 E:GLU312 3.7 166.7 1.0
CD E:GLU312 4.0 166.7 1.0
N E:THR288 4.2 140.5 1.0
CG2 E:THR288 4.3 140.4 1.0
CA E:THR288 4.3 139.9 1.0
CG E:LYS287 4.6 156.0 1.0
O5' E:ADP601 4.7 161.5 1.0
OE2 E:GLU357 4.8 159.4 1.0
CE E:LYS287 4.9 160.4 1.0

Magnesium binding site 6 out of 6 in 9e29

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Magnesium binding site 6 out of 6 in the Expanded Structure of Cpaf with Two Atps and Four Adps (Saturated Atp Dataset)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Expanded Structure of Cpaf with Two Atps and Four Adps (Saturated Atp Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg602

b:147.3
occ:1.00
O3B F:ADP601 1.9 171.5 1.0
PB F:ADP601 2.4 171.6 1.0
O3A F:ADP601 2.4 170.7 1.0
O2B F:ADP601 2.7 171.3 1.0
OG1 F:THR288 3.1 149.7 1.0
PA F:ADP601 3.3 177.3 1.0
OE2 F:GLU312 3.4 160.3 1.0
O1A F:ADP601 3.4 168.1 1.0
O2A F:ADP601 3.6 175.3 1.0
CB F:THR288 3.7 152.1 1.0
OE1 F:GLU312 3.7 158.3 1.0
O1B F:ADP601 3.8 165.2 1.0
CD F:GLU312 4.0 162.2 1.0
NZ F:LYS287 4.2 151.8 1.0
N F:THR288 4.5 145.2 1.0
CG2 F:THR288 4.6 146.8 1.0
O5' F:ADP601 4.7 169.7 1.0
CA F:THR288 4.7 147.3 1.0
CG F:LYS287 4.8 147.5 1.0
CE F:LYS287 4.8 152.7 1.0

Reference:

I.Y.Yen, G.B.Whitfield, J.L.Rubinstein, L.L.Burrows, Y.V.Brun, P.L.Howell. Coordinated Conformational Changes in the Tad Pilus Atpase Cpaf Facilitate A Rotary Mechanism of Catalysis To Be Published.
Page generated: Sat Aug 16 00:52:54 2025

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