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Magnesium in PDB 7rl7: Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs.

Enzymatic activity of Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs.

All present enzymatic activity of Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs.:
3.6.4.6;

Magnesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Magnesium atom in the Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs. (pdb code 7rl7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 12 binding sites of Magnesium where determined in the Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs., PDB code: 7rl7:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 12 in 7rl7

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Magnesium binding site 1 out of 12 in the Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg903

b:102.1
occ:1.00
 OG1 A:THR252 2.1 91.0 1.0
OD2 A:ASP304 2.1 91.6 1.0
OD1 A:ASP304 2.5 91.6 1.0
CG A:ASP304 2.6 91.6 1.0
O1B A:AGS901 2.7 92.9 1.0
CB A:THR252 3.3 91.0 1.0
CG2 A:THR252 3.6 91.0 1.0
CB A:ASP304 4.0 91.6 1.0
OE2 A:GLU305 4.1 94.3 1.0
CA A:THR252 4.1 91.0 1.0
PB A:AGS901 4.1 92.9 1.0
CG A:GLU305 4.2 94.3 1.0
N A:THR252 4.2 91.0 1.0
O3G A:AGS901 4.3 92.9 1.0
S1G A:AGS901 4.6 92.9 1.0
CD A:GLU305 4.6 94.3 1.0
O3A A:AGS901 4.6 92.9 1.0
N A:GLU305 4.7 94.3 1.0
PG A:AGS901 4.9 92.9 1.0
CA A:ASP304 4.9 91.6 1.0
O3B A:AGS901 5.0 92.9 1.0

Magnesium binding site 2 out of 12 in 7rl7

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Magnesium binding site 2 out of 12 in the Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg904

b:108.1
occ:1.00
 OG1 A:THR525 2.1 96.2 1.0
OD2 A:ASP577 2.1 97.4 1.0
O2G A:AGS902 2.6 101.8 1.0
CG A:ASP577 2.9 97.4 1.0
O1B A:AGS902 3.0 101.8 1.0
OD1 A:ASP577 3.1 97.4 1.0
O1A A:AGS902 3.3 101.8 1.0
CB A:THR525 3.4 96.2 1.0
CG2 A:THR525 3.9 96.2 1.0
PG A:AGS902 4.0 101.8 1.0
PB A:AGS902 4.2 101.8 1.0
CB A:ASP577 4.3 97.4 1.0
PA A:AGS902 4.4 101.8 1.0
CA A:THR525 4.5 96.2 1.0
N A:THR525 4.5 96.2 1.0
CG A:GLU578 4.5 104.3 1.0
O3B A:AGS902 4.5 101.8 1.0
OE2 A:GLU578 4.5 104.3 1.0
O3G A:AGS902 4.5 101.8 1.0
O2A A:AGS902 4.8 101.8 1.0
O3A A:AGS902 4.8 101.8 1.0
CD F:ARG635 4.8 99.8 1.0

Magnesium binding site 3 out of 12 in 7rl7

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Magnesium binding site 3 out of 12 in the Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg903

b:100.2
occ:1.00
 OG1 B:THR252 2.1 89.3 1.0
OD2 B:ASP304 2.1 91.8 1.0
OD1 B:ASP304 2.5 91.8 1.0
CG B:ASP304 2.6 91.8 1.0
O1B B:AGS901 2.7 91.6 1.0
CB B:THR252 3.3 89.3 1.0
CG2 B:THR252 3.6 89.3 1.0
CB B:ASP304 4.0 91.8 1.0
OE2 B:GLU305 4.1 93.5 1.0
CA B:THR252 4.1 89.3 1.0
PB B:AGS901 4.1 91.6 1.0
CG B:GLU305 4.2 93.5 1.0
N B:THR252 4.2 89.3 1.0
O3G B:AGS901 4.3 91.6 1.0
S1G B:AGS901 4.6 91.6 1.0
CD B:GLU305 4.6 93.5 1.0
O3A B:AGS901 4.6 91.6 1.0
N B:GLU305 4.7 93.5 1.0
PG B:AGS901 4.9 91.6 1.0
CA B:ASP304 4.9 91.8 1.0
O3B B:AGS901 5.0 91.6 1.0

Magnesium binding site 4 out of 12 in 7rl7

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Magnesium binding site 4 out of 12 in the Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg904

b:106.5
occ:1.00
 OG1 B:THR525 2.1 96.3 1.0
OD2 B:ASP577 2.1 100.0 1.0
O2G B:AGS902 2.6 101.6 1.0
CG B:ASP577 2.9 100.0 1.0
O1B B:AGS902 3.0 101.6 1.0
OD1 B:ASP577 3.1 100.0 1.0
O1A B:AGS902 3.3 101.6 1.0
CB B:THR525 3.4 96.3 1.0
CG2 B:THR525 3.9 96.3 1.0
PG B:AGS902 4.0 101.6 1.0
PB B:AGS902 4.2 101.6 1.0
CB B:ASP577 4.3 100.0 1.0
PA B:AGS902 4.4 101.6 1.0
CA B:THR525 4.5 96.3 1.0
N B:THR525 4.5 96.3 1.0
CG B:GLU578 4.5 105.2 1.0
O3B B:AGS902 4.5 101.6 1.0
OE2 B:GLU578 4.5 105.2 1.0
O3G B:AGS902 4.5 101.6 1.0
O2A B:AGS902 4.8 101.6 1.0
O3A B:AGS902 4.8 101.6 1.0
CD A:ARG635 4.9 99.5 1.0
NH1 A:ARG635 5.0 99.5 1.0

Magnesium binding site 5 out of 12 in 7rl7

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Magnesium binding site 5 out of 12 in the Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg903

b:98.8
occ:1.00
 OG1 C:THR252 2.1 89.4 1.0
OD2 C:ASP304 2.1 91.6 1.0
OD1 C:ASP304 2.5 91.6 1.0
CG C:ASP304 2.6 91.6 1.0
O1B C:AGS901 2.7 91.3 1.0
CB C:THR252 3.3 89.4 1.0
CG2 C:THR252 3.6 89.4 1.0
CB C:ASP304 4.0 91.6 1.0
OE2 C:GLU305 4.1 93.2 1.0
CA C:THR252 4.1 89.4 1.0
PB C:AGS901 4.1 91.3 1.0
CG C:GLU305 4.2 93.2 1.0
N C:THR252 4.2 89.4 1.0
O3G C:AGS901 4.3 91.3 1.0
S1G C:AGS901 4.6 91.3 1.0
CD C:GLU305 4.6 93.2 1.0
O3A C:AGS901 4.6 91.3 1.0
N C:GLU305 4.7 93.2 1.0
PG C:AGS901 4.9 91.3 1.0
CA C:ASP304 4.9 91.6 1.0
O3B C:AGS901 5.0 91.3 1.0

Magnesium binding site 6 out of 12 in 7rl7

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Magnesium binding site 6 out of 12 in the Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg904

b:106.1
occ:1.00
 OG1 C:THR525 2.1 95.6 1.0
OD2 C:ASP577 2.1 97.8 1.0
O2G C:AGS902 2.6 99.9 1.0
CG C:ASP577 2.9 97.8 1.0
O1B C:AGS902 3.0 99.9 1.0
OD1 C:ASP577 3.1 97.8 1.0
O1A C:AGS902 3.3 99.9 1.0
CB C:THR525 3.4 95.6 1.0
CG2 C:THR525 3.9 95.6 1.0
PG C:AGS902 4.0 99.9 1.0
PB C:AGS902 4.2 99.9 1.0
CB C:ASP577 4.3 97.8 1.0
PA C:AGS902 4.4 99.9 1.0
CA C:THR525 4.5 95.6 1.0
N C:THR525 4.5 95.6 1.0
CG C:GLU578 4.5 103.4 1.0
O3B C:AGS902 4.5 99.9 1.0
OE2 C:GLU578 4.5 103.4 1.0
O3G C:AGS902 4.5 99.9 1.0
O2A C:AGS902 4.8 99.9 1.0
O3A C:AGS902 4.8 99.9 1.0
CD B:ARG635 5.0 100.1 1.0

Magnesium binding site 7 out of 12 in 7rl7

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Magnesium binding site 7 out of 12 in the Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg903

b:102.1
occ:1.00
 OG1 D:THR252 2.1 90.8 1.0
OD2 D:ASP304 2.1 91.8 1.0
OD1 D:ASP304 2.5 91.8 1.0
CG D:ASP304 2.6 91.8 1.0
O1B D:AGS901 2.7 92.6 1.0
CB D:THR252 3.3 90.8 1.0
CG2 D:THR252 3.6 90.8 1.0
CB D:ASP304 4.0 91.8 1.0
OE2 D:GLU305 4.1 94.4 1.0
CA D:THR252 4.1 90.8 1.0
PB D:AGS901 4.1 92.6 1.0
CG D:GLU305 4.2 94.4 1.0
N D:THR252 4.2 90.8 1.0
O3G D:AGS901 4.3 92.6 1.0
S1G D:AGS901 4.6 92.6 1.0
CD D:GLU305 4.6 94.4 1.0
O3A D:AGS901 4.6 92.6 1.0
N D:GLU305 4.7 94.4 1.0
PG D:AGS901 4.9 92.6 1.0
CA D:ASP304 4.9 91.8 1.0
O3B D:AGS901 5.0 92.6 1.0

Magnesium binding site 8 out of 12 in 7rl7

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Magnesium binding site 8 out of 12 in the Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg904

b:108.3
occ:1.00
 OG1 D:THR525 2.1 96.3 1.0
OD2 D:ASP577 2.1 98.2 1.0
O2G D:AGS902 2.6 102.3 1.0
CG D:ASP577 2.9 98.2 1.0
O1B D:AGS902 3.0 102.3 1.0
OD1 D:ASP577 3.1 98.2 1.0
O1A D:AGS902 3.3 102.3 1.0
CB D:THR525 3.4 96.3 1.0
CG2 D:THR525 3.9 96.3 1.0
PG D:AGS902 4.0 102.3 1.0
PB D:AGS902 4.2 102.3 1.0
CB D:ASP577 4.3 98.2 1.0
PA D:AGS902 4.4 102.3 1.0
CA D:THR525 4.5 96.3 1.0
N D:THR525 4.5 96.3 1.0
CG D:GLU578 4.5 104.7 1.0
O3B D:AGS902 4.5 102.3 1.0
OE2 D:GLU578 4.5 104.7 1.0
O3G D:AGS902 4.5 102.3 1.0
O2A D:AGS902 4.8 102.3 1.0
CD C:ARG635 4.8 100.1 1.0
O3A D:AGS902 4.8 102.3 1.0
NH1 C:ARG635 5.0 100.1 1.0

Magnesium binding site 9 out of 12 in 7rl7

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Magnesium binding site 9 out of 12 in the Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg903

b:101.3
occ:1.00
 OG1 E:THR252 2.1 89.1 1.0
OD2 E:ASP304 2.1 92.3 1.0
OD1 E:ASP304 2.5 92.3 1.0
CG E:ASP304 2.6 92.3 1.0
O1B E:AGS901 2.7 91.2 1.0
CB E:THR252 3.3 89.1 1.0
CG2 E:THR252 3.6 89.1 1.0
CB E:ASP304 4.0 92.3 1.0
OE2 E:GLU305 4.1 94.0 1.0
CA E:THR252 4.1 89.1 1.0
PB E:AGS901 4.1 91.2 1.0
CG E:GLU305 4.2 94.0 1.0
N E:THR252 4.2 89.1 1.0
O3G E:AGS901 4.3 91.2 1.0
S1G E:AGS901 4.6 91.2 1.0
CD E:GLU305 4.6 94.0 1.0
O3A E:AGS901 4.6 91.2 1.0
N E:GLU305 4.7 94.0 1.0
PG E:AGS901 4.9 91.2 1.0
CA E:ASP304 4.9 92.3 1.0
O3B E:AGS901 5.0 91.2 1.0

Magnesium binding site 10 out of 12 in 7rl7

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Magnesium binding site 10 out of 12 in the Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Cryo-Em Structure of Human P97-R155H Mutant Bound to Atpgs. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg904

b:106.9
occ:1.00
 OG1 E:THR525 2.1 95.9 1.0
OD2 E:ASP577 2.1 99.1 1.0
O2G E:AGS902 2.6 101.8 1.0
CG E:ASP577 2.9 99.1 1.0
O1B E:AGS902 3.0 101.8 1.0
OD1 E:ASP577 3.1 99.1 1.0
O1A E:AGS902 3.3 101.8 1.0
CB E:THR525 3.4 95.9 1.0
CG2 E:THR525 3.9 95.9 1.0
PG E:AGS902 4.0 101.8 1.0
PB E:AGS902 4.2 101.8 1.0
CB E:ASP577 4.3 99.1 1.0
PA E:AGS902 4.4 101.8 1.0
CA E:THR525 4.5 95.9 1.0
N E:THR525 4.5 95.9 1.0
CG E:GLU578 4.5 104.6 1.0
O3B E:AGS902 4.5 101.8 1.0
OE2 E:GLU578 4.5 104.6 1.0
O3G E:AGS902 4.5 101.8 1.0
O2A E:AGS902 4.8 101.8 1.0
O3A E:AGS902 4.8 101.8 1.0
CD D:ARG635 4.9 99.2 1.0

Reference:

B.Caffrey, X.Zhu, A.Berezuk, K.Tuttle, S.Chittori, S.Subramaniam. Common Mutations of Aaa Atpase P97 and Inhibitor Binding Disrupt Inter-Domain Coupling and Subsequent Allosteric Activation J.Biol.Chem. 2021.
ISSN: ESSN 1083-351X
DOI: 10.1016/J.JBC.2021.101187
Page generated: Thu Oct 3 07:58:57 2024

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