Magnesium in PDB 8zi0: Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 1

Enzymatic activity of Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 1

All present enzymatic activity of Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 1:
7.1.2.2;

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 1 (pdb code 8zi0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 1, PDB code: 8zi0:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 8zi0

Go back to Magnesium Binding Sites List in 8zi0
Magnesium binding site 1 out of 4 in the Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg602

b:112.2
occ:1.00
 O1B A:ATP601 2.2 113.9 1.0
O3G A:ATP601 2.4 120.1 1.0
O3B A:ATP601 3.1 118.1 1.0
PB A:ATP601 3.2 124.4 1.0
PG A:ATP601 3.3 118.5 1.0
O2G A:ATP601 4.0 106.1 1.0
O2B A:ATP601 4.2 116.7 1.0
O3A A:ATP601 4.4 115.1 1.0
O1G A:ATP601 4.6 112.6 1.0
CG A:ARG172 4.6 107.1 1.0

Magnesium binding site 2 out of 4 in 8zi0

Go back to Magnesium Binding Sites List in 8zi0
Magnesium binding site 2 out of 4 in the Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg602

b:173.6
occ:1.00
 O2B B:ATP601 2.4 166.1 1.0
O3G B:ATP601 2.7 165.3 1.0
O3B B:ATP601 2.7 167.7 1.0
PB B:ATP601 3.0 175.7 1.0
NE2 B:GLN201 3.2 109.6 1.0
PG B:ATP601 3.3 170.8 1.0
OE1 B:GLN201 3.4 117.4 1.0
CD B:GLN201 3.7 112.0 1.0
O1B B:ATP601 3.8 166.0 1.0
O2G B:ATP601 3.9 162.5 1.0
OG1 B:THR177 4.1 92.1 1.0
OD1 B:ASP262 4.3 119.7 1.0
O3A B:ATP601 4.4 166.3 1.0
O1G B:ATP601 4.6 162.3 1.0

Magnesium binding site 3 out of 4 in 8zi0

Go back to Magnesium Binding Sites List in 8zi0
Magnesium binding site 3 out of 4 in the Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg601

b:115.8
occ:1.00
 OG1 C:THR177 1.9 94.7 1.0
O3G C:ATP602 2.0 101.2 1.0
O2G C:ATP602 2.2 100.6 1.0
OD1 C:ASP262 2.4 110.6 1.0
PG C:ATP602 2.6 119.8 1.0
CG C:ASP262 3.2 110.2 1.0
CB C:THR177 3.3 81.1 1.0
O3B C:ATP602 3.4 99.6 1.0
OD2 C:ASP262 3.6 112.1 1.0
O C:ASP262 3.8 109.5 1.0
O1G C:ATP602 3.8 100.8 1.0
CG2 C:THR177 4.1 76.2 1.0
NE2 C:GLN201 4.1 96.6 1.0
CA C:THR177 4.1 73.7 1.0
OD2 C:ASP263 4.3 115.3 1.0
N C:THR177 4.4 87.1 1.0
CB C:ASP262 4.5 101.3 1.0
C C:ASP262 4.6 105.6 1.0
CG C:ASP263 4.7 112.9 1.0
CD1 C:ILE330 4.7 80.5 1.0
CA C:ASP262 4.7 100.4 1.0
OD1 C:ASP263 4.7 109.0 1.0
CD C:GLN201 4.8 96.4 1.0
OH C:TYR196 4.9 79.3 1.0
PB C:ATP602 5.0 107.3 1.0

Magnesium binding site 4 out of 4 in 8zi0

Go back to Magnesium Binding Sites List in 8zi0
Magnesium binding site 4 out of 4 in the Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg501

b:128.4
occ:1.00
 O3B D:ADP502 2.1 109.0 1.0
NZ D:LYS154 2.6 90.9 1.0
PB D:ADP502 2.9 117.5 1.0
O2B D:ADP502 3.0 105.5 1.0
O1B D:ADP502 3.8 108.7 1.0
CE D:LYS154 3.9 91.5 1.0
CA D:ALA150 4.0 98.5 1.0
N D:GLY151 4.1 87.5 1.0
O3A D:ADP502 4.3 105.1 1.0
C D:ALA150 4.5 95.5 1.0
OE2 D:GLU180 4.6 112.4 1.0
CB A:SER348 4.6 81.6 1.0
CD1 D:TYR302 4.6 102.4 1.0
O D:GLY149 4.7 117.7 1.0
CB D:ALA150 4.7 97.4 1.0
NH1 A:ARG377 4.7 99.9 1.0
CE1 D:TYR302 4.7 99.2 1.0
N D:ALA150 4.8 102.9 1.0
C D:GLY149 5.0 109.8 1.0
CD D:LYS154 5.0 93.2 1.0

Reference:

K.C.M.Le, C.F.Wong, V.Muller, G.Gruber. Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F 1 -Atpase Rotary Subunits Gamma and Epsilon , Unveiling Novel Compound Targets. Faseb J. V. 38 70131 2024.
ISSN: ESSN 1530-6860
PubMed: 39467208
DOI: 10.1096/FJ.202401629R
Page generated: Wed Nov 27 18:53:02 2024

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