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Magnesium in PDB 9olo: 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19

Enzymatic activity of 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19

All present enzymatic activity of 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19:
3.6.4.6;

Magnesium Binding Sites:

The binding sites of Magnesium atom in the 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19 (pdb code 9olo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 10 binding sites of Magnesium where determined in the 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19, PDB code: 9olo:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 10 in 9olo

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Magnesium binding site 1 out of 10 in the 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg803

b:82.0
occ:1.00
 O3G A:ATP802 2.1 83.2 1.0
O2B A:ATP802 2.6 83.2 1.0
PG A:ATP802 3.0 83.2 1.0
O2G A:ATP802 3.2 83.2 1.0
O3B A:ATP802 3.2 83.2 1.0
PB A:ATP802 3.5 83.2 1.0
OG1 A:THR550 3.6 71.1 1.0
HE2 A:LYS549 4.0 71.3 1.0
HG1 A:THR550 4.1 71.1 1.0
HB2 A:LYS549 4.2 71.3 1.0
O1B A:ATP802 4.3 83.2 1.0
HG22 A:THR645 4.3 60.7 1.0
OD2 A:ASP604 4.3 61.0 1.0
H A:THR550 4.3 71.1 1.0
HG21 A:THR645 4.3 60.7 1.0
O1G A:ATP802 4.4 83.2 1.0
HZ2 A:LYS549 4.4 71.3 1.0
HZ1 A:LYS549 4.4 71.3 1.0
HB A:THR550 4.5 71.1 1.0
CB A:THR550 4.7 71.1 1.0
O3A A:ATP802 4.7 83.2 1.0
NZ A:LYS549 4.7 71.3 1.0
CG2 A:THR645 4.7 60.7 1.0
CG A:ASP604 4.7 61.0 1.0
HB2 A:ASP604 4.8 61.0 1.0
CE A:LYS549 4.8 71.3 1.0
H A:LYS549 4.8 71.3 1.0
HG A:SER647 4.9 64.1 1.0
N A:THR550 4.9 71.1 1.0

Magnesium binding site 2 out of 10 in 9olo

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Magnesium binding site 2 out of 10 in the 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg803

b:65.4
occ:1.00
 OG1 B:THR550 2.1 45.4 1.0
O2B B:ATP801 2.4 65.4 1.0
O1G B:ATP801 3.2 65.4 1.0
CB B:THR550 3.4 45.4 1.0
HB B:THR550 3.5 45.4 1.0
OD1 B:ASP603 3.8 49.5 1.0
OD1 B:ASP604 3.8 42.7 1.0
PB B:ATP801 3.8 65.4 1.0
HG21 B:THR550 3.8 45.4 1.0
H B:THR550 3.9 45.4 1.0
OD2 B:ASP603 4.0 49.5 1.0
CG2 B:THR550 4.2 45.4 1.0
HG21 B:THR645 4.2 51.4 1.0
O3B B:ATP801 4.2 65.4 1.0
CG B:ASP604 4.2 42.7 1.0
CG B:ASP603 4.3 49.5 1.0
OD2 B:ASP604 4.3 42.7 1.0
PG B:ATP801 4.3 65.4 1.0
O2A B:ATP801 4.4 65.4 1.0
CA B:THR550 4.5 45.4 1.0
N B:THR550 4.5 45.4 1.0
HG22 B:THR645 4.5 51.4 1.0
HG23 B:THR550 4.6 45.4 1.0
O1B B:ATP801 4.6 65.4 1.0
HA B:THR550 4.7 45.4 1.0
CG2 B:THR645 4.8 51.4 1.0
HE2 B:LYS549 4.9 43.6 1.0
O3A B:ATP801 4.9 65.4 1.0
HB2 B:LYS549 4.9 43.6 1.0
HG22 B:THR550 5.0 45.4 1.0

Magnesium binding site 3 out of 10 in 9olo

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Magnesium binding site 3 out of 10 in the 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg804

b:32.1
occ:1.00
 O1B B:ADP802 2.9 45.1 1.0
HG1 B:THR267 2.9 44.9 1.0
O4 B:PO4805 3.0 182.6 1.0
OG1 B:THR267 3.3 44.9 1.0
PB B:ADP802 4.1 45.1 1.0
P B:PO4805 4.2 182.6 1.0
O2 B:PO4805 4.3 182.6 1.0
O2B B:ADP802 4.3 45.1 1.0
HB B:THR267 4.3 44.9 1.0
CB B:THR267 4.4 44.9 1.0
HE3 B:MET372 4.5 57.9 1.0
OD1 B:ASP328 4.5 78.6 1.0
OD2 B:ASP328 4.5 78.6 1.0
HZ2 B:LYS266 4.6 53.1 1.0
H B:THR267 4.8 44.9 1.0
O3B B:ADP802 4.9 45.1 1.0
HG21 B:THR267 4.9 44.9 1.0
HA2 A:GLY360 4.9 103.7 1.0
HZ1 B:LYS266 4.9 53.1 1.0
CG B:ASP328 5.0 78.6 1.0
HE1 B:MET372 5.0 57.9 1.0
HH22 A:ARG388 5.0 91.1 1.0
O2A B:ADP802 5.0 45.1 1.0

Magnesium binding site 4 out of 10 in 9olo

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Magnesium binding site 4 out of 10 in the 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg803

b:60.5
occ:1.00
 O2 C:PO4805 3.0 168.8 1.0
HB C:THR267 3.1 78.7 1.0
OG1 C:THR267 3.1 78.7 1.0
O2B C:ADP802 3.1 81.6 1.0
O3B C:ADP802 3.2 81.6 1.0
HG1 C:THR267 3.5 78.7 1.0
PB C:ADP802 3.6 81.6 1.0
CB C:THR267 3.6 78.7 1.0
HG21 C:THR267 3.8 78.7 1.0
O3A C:ADP802 3.8 81.6 1.0
O4 C:PO4805 4.0 168.8 1.0
P C:PO4805 4.0 168.8 1.0
HH22 B:ARG388 4.1 54.0 1.0
H C:THR267 4.2 78.7 1.0
CG2 C:THR267 4.3 78.7 1.0
HA2 B:GLY360 4.3 73.7 1.0
O B:ASP359 4.5 63.2 1.0
HH21 B:ARG385 4.6 52.5 1.0
O1 C:PO4805 4.6 168.8 1.0
OD1 C:ASP328 4.7 82.8 1.0
O2A C:ADP802 4.7 81.6 1.0
HB3 B:ASP359 4.7 63.2 1.0
HG22 C:THR267 4.8 78.7 1.0
CA C:THR267 4.8 78.7 1.0
PA C:ADP802 4.9 81.6 1.0
NH2 B:ARG388 4.9 54.0 1.0
OD2 B:ASP359 4.9 63.2 1.0
N C:THR267 4.9 78.7 1.0
OD2 C:ASP328 4.9 82.8 1.0

Magnesium binding site 5 out of 10 in 9olo

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Magnesium binding site 5 out of 10 in the 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg804

b:64.6
occ:1.00
 O1G C:ATP801 2.4 69.3 1.0
O2B C:ATP801 2.8 69.3 1.0
OG1 C:THR550 2.9 61.8 1.0
OD1 C:ASP604 3.0 60.1 1.0
HG1 C:THR550 3.1 61.8 1.0
PG C:ATP801 3.3 69.3 1.0
CG C:ASP604 3.5 60.1 1.0
O3G C:ATP801 3.5 69.3 1.0
OD2 C:ASP604 3.6 60.1 1.0
O3B C:ATP801 3.8 69.3 1.0
PB C:ATP801 3.9 69.3 1.0
CB C:THR550 4.1 61.8 1.0
HZ3 C:LYS549 4.2 59.3 1.0
HG2 C:LYS549 4.2 59.3 1.0
OD1 C:ASP603 4.2 60.8 1.0
HB C:THR550 4.2 61.8 1.0
HG3 C:LYS549 4.3 59.3 1.0
HG1 C:THR645 4.4 54.1 1.0
HB2 C:ASP604 4.6 60.1 1.0
HG21 C:THR550 4.6 61.8 1.0
CB C:ASP604 4.6 60.1 1.0
HG C:SER647 4.6 59.5 1.0
HA C:ASP604 4.7 60.1 1.0
HZ1 C:LYS549 4.7 59.3 1.0
HD2 C:LYS549 4.7 59.3 1.0
CG C:LYS549 4.7 59.3 1.0
O2G C:ATP801 4.7 69.3 1.0
O1B C:ATP801 4.7 69.3 1.0
H C:ASP604 4.8 60.1 1.0
H C:THR550 4.8 61.8 1.0
NZ C:LYS549 4.8 59.3 1.0
OG1 C:THR645 4.9 54.1 1.0
OG C:SER647 4.9 59.5 1.0
CG2 C:THR550 5.0 61.8 1.0

Magnesium binding site 6 out of 10 in 9olo

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Magnesium binding site 6 out of 10 in the 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg803

b:46.9
occ:1.00
 HG1 D:THR550 2.3 44.7 1.0
OG1 D:THR550 2.5 44.7 1.0
O2B D:ATP801 2.9 73.1 1.0
O2G D:ATP801 3.0 73.1 1.0
O1G D:ATP801 3.2 73.1 1.0
PG D:ATP801 3.5 73.1 1.0
O3B D:ATP801 3.8 73.1 1.0
CB D:THR550 3.8 44.7 1.0
PB D:ATP801 3.8 73.1 1.0
HB D:THR550 4.0 44.7 1.0
HB2 D:ASP604 4.0 32.8 1.0
H D:THR550 4.1 44.7 1.0
HG21 D:THR550 4.2 44.7 1.0
HG1 D:THR645 4.2 29.4 1.0
OD1 D:ASP604 4.3 32.8 1.0
CG D:ASP604 4.3 32.8 1.0
HE3 D:LYS549 4.4 46.6 1.0
O1B D:ATP801 4.4 73.1 1.0
CG2 D:THR550 4.5 44.7 1.0
CB D:ASP604 4.6 32.8 1.0
N D:THR550 4.7 44.7 1.0
HB2 D:ASP603 4.7 32.2 1.0
HB2 D:LYS549 4.7 46.6 1.0
H D:ASP604 4.8 32.8 1.0
OD2 D:ASP604 4.8 32.8 1.0
CA D:THR550 4.8 44.7 1.0
HA D:ASP604 4.8 32.8 1.0
HZ3 D:LYS549 4.8 46.6 1.0
OG1 D:THR645 4.8 29.4 1.0
HG23 D:THR550 4.9 44.7 1.0
O3G D:ATP801 5.0 73.1 1.0
HA D:THR550 5.0 44.7 1.0

Magnesium binding site 7 out of 10 in 9olo

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Magnesium binding site 7 out of 10 in the 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg804

b:73.1
occ:1.00
 OG1 D:THR267 2.9 59.3 1.0
O3 D:PO4805 3.1 97.8 1.0
O2 D:PO4805 3.2 97.8 1.0
O3B D:ADP802 3.2 86.1 1.0
HG1 D:THR267 3.3 59.3 1.0
P D:PO4805 3.5 97.8 1.0
HH22 C:ARG388 3.6 85.6 1.0
O4 D:PO4805 3.7 97.8 1.0
OD1 D:ASP328 3.9 54.0 1.0
CB D:THR267 4.1 59.3 1.0
HB D:THR267 4.1 59.3 1.0
HG21 D:THR267 4.2 59.3 1.0
O C:ASP359 4.2 88.1 1.0
NH2 C:ARG388 4.4 85.6 1.0
PB D:ADP802 4.4 86.1 1.0
HA2 C:GLY360 4.6 93.2 1.0
O2B D:ADP802 4.6 86.1 1.0
HH21 C:ARG388 4.6 85.6 1.0
OE2 D:GLU329 4.6 58.1 1.0
OE1 D:GLU329 4.7 58.1 1.0
CG2 D:THR267 4.7 59.3 1.0
HE3 D:MET372 4.8 60.9 1.0
CG D:ASP328 4.8 54.0 1.0
OD2 D:ASP328 4.9 54.0 1.0
O1 D:PO4805 5.0 97.8 1.0
HH12 C:ARG388 5.0 85.6 1.0

Magnesium binding site 8 out of 10 in 9olo

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Magnesium binding site 8 out of 10 in the 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg803

b:87.8
occ:1.00
 O3G E:ATP802 2.5 55.1 1.0
HG1 E:THR550 2.6 61.4 1.0
O2B E:ATP802 2.7 55.1 1.0
O2G E:ATP802 2.8 55.1 1.0
OG1 E:THR550 3.1 61.4 1.0
PG E:ATP802 3.1 55.1 1.0
O3B E:ATP802 3.6 55.1 1.0
HE2 E:LYS549 3.6 58.5 1.0
PB E:ATP802 3.7 55.1 1.0
HG21 E:THR645 3.9 52.9 1.0
HG22 E:THR645 3.9 52.9 1.0
H E:THR550 4.0 61.4 1.0
OD1 E:ASP604 4.2 52.7 1.0
HB2 E:LYS549 4.2 58.5 1.0
HZ1 E:LYS549 4.2 58.5 1.0
CG2 E:THR645 4.4 52.9 1.0
HZ3 E:LYS549 4.4 58.5 1.0
CB E:THR550 4.4 61.4 1.0
HB2 E:ASP604 4.5 52.7 1.0
CE E:LYS549 4.5 58.5 1.0
O1G E:ATP802 4.5 55.1 1.0
NZ E:LYS549 4.6 58.5 1.0
CG E:ASP604 4.6 52.7 1.0
O1B E:ATP802 4.6 55.1 1.0
HB E:THR550 4.6 61.4 1.0
N E:THR550 4.7 61.4 1.0
HE3 E:LYS549 4.8 58.5 1.0
H E:LYS549 4.9 58.5 1.0
O3A E:ATP802 4.9 55.1 1.0
H E:ASP604 5.0 52.7 1.0
HA E:ASP604 5.0 52.7 1.0
CB E:ASP604 5.0 52.7 1.0
HB2 E:ASP603 5.0 54.1 1.0

Magnesium binding site 9 out of 10 in 9olo

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Magnesium binding site 9 out of 10 in the 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg804

b:52.9
occ:1.00
 OG1 E:THR267 1.9 104.1 1.0
O2B E:ATP801 3.0 91.4 1.0
CB E:THR267 3.2 104.1 1.0
O3G E:ATP801 3.4 91.4 1.0
HG21 E:THR267 3.4 104.1 1.0
HB E:THR267 3.5 104.1 1.0
O3B E:ATP801 3.6 91.4 1.0
PB E:ATP801 3.7 91.4 1.0
O3A E:ATP801 3.8 91.4 1.0
CG2 E:THR267 3.8 104.1 1.0
HA2 D:GLY360 3.9 99.4 1.0
PG E:ATP801 4.1 91.4 1.0
HG23 E:THR267 4.1 104.1 1.0
H E:THR267 4.1 104.1 1.0
HH22 D:ARG388 4.1 73.0 1.0
OD2 E:ASP328 4.2 106.2 1.0
CA E:THR267 4.3 104.1 1.0
OE2 E:GLU329 4.3 106.2 1.0
OD1 E:ASP328 4.4 106.2 1.0
HA E:THR267 4.4 104.1 1.0
N E:THR267 4.5 104.1 1.0
O1G E:ATP801 4.5 91.4 1.0
HG22 E:THR267 4.7 104.1 1.0
O D:ASP359 4.7 80.8 1.0
HA3 D:GLY360 4.7 99.4 1.0
HH21 D:ARG388 4.7 73.0 1.0
NH2 D:ARG388 4.7 73.0 1.0
CA D:GLY360 4.7 99.4 1.0
CG E:ASP328 4.7 106.2 1.0
HZ3 E:LYS266 4.8 104.1 1.0
HE3 E:MET372 4.9 105.7 1.0
HB2 E:LYS266 5.0 104.1 1.0

Magnesium binding site 10 out of 10 in 9olo

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Magnesium binding site 10 out of 10 in the 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of 22BIN20S Complex (Nsf-Alphasnap-2:2 Syntaxin-1A:Snap-25), Hydrolyzing, Class 19 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg803

b:88.2
occ:1.00
 O1G F:ATP801 1.9 88.2 1.0
HG1 F:THR550 2.3 73.7 1.0
PG F:ATP801 2.7 88.2 1.0
OG1 F:THR550 2.7 73.7 1.0
O3B F:ATP801 2.8 88.2 1.0
O2G F:ATP801 3.3 88.2 1.0
O2B F:ATP801 3.5 88.2 1.0
OD1 F:ASP604 3.6 39.4 1.0
PB F:ATP801 3.8 88.2 1.0
O1A F:ATP801 3.8 88.2 1.0
O3G F:ATP801 4.1 88.2 1.0
CB F:THR550 4.1 73.7 1.0
H F:THR550 4.1 73.7 1.0
HB F:THR550 4.3 73.7 1.0
O3A F:ATP801 4.4 88.2 1.0
CG F:ASP604 4.4 39.4 1.0
HG21 F:THR550 4.5 73.7 1.0
PA F:ATP801 4.6 88.2 1.0
OD2 F:ASP604 4.7 39.4 1.0
O F:HOH912 4.7 55.0 1.0
N F:THR550 4.8 73.7 1.0
HB2 F:ASP603 4.8 52.7 1.0
CG2 F:THR550 4.8 73.7 1.0
HB2 F:LYS549 4.9 66.6 1.0
O2A F:ATP801 4.9 88.2 1.0
HG1 F:THR645 5.0 44.7 1.0

Reference:

K.I.White, Y.A.Khan, K.Qiu, A.Balaji, S.Couoh-Cardel, L.Esquivies, R.A.Pfuetzner, J.Diao, A.T.Brunger. Pre-Fusion Aaa+ Remodeling of Target-Snare Protein Complexes Enables Synaptic Transmission. Biorxiv 2024.
ISSN: ISSN 2692-8205
PubMed: 39416070
DOI: 10.1101/2024.10.11.617886
Page generated: Sat Aug 23 06:08:14 2025

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