Magnesium in PDB 8zi2: Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 3

Enzymatic activity of Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 3

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 3:
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 3 (pdb code 8zi2). 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 3, PDB code: 8zi2:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 8zi2

Go back to Magnesium Binding Sites List in 8zi2
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 3


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 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg602

b:129.3
occ:1.00
 O3G A:ATP601 1.9 127.4 1.0
O1G A:ATP601 1.9 129.1 1.0
OG1 A:THR177 2.2 99.0 1.0
PG A:ATP601 2.3 141.3 1.0
OD1 A:ASP262 3.3 108.4 1.0
OE1 A:GLN201 3.3 104.0 1.0
CB A:THR177 3.3 89.9 1.0
O2G A:ATP601 3.5 124.3 1.0
O3B A:ATP601 3.5 129.9 1.0
OD2 A:ASP262 3.5 117.6 1.0
CG A:ASP262 3.8 111.4 1.0
CG2 A:THR177 3.9 90.9 1.0
CD A:GLN201 4.0 98.7 1.0
CG2 A:THR205 4.4 97.9 1.0
CA A:THR177 4.5 85.3 1.0
NE2 A:GLN201 4.7 98.6 1.0
CG A:GLN201 4.8 91.8 1.0
OH A:TYR196 4.8 85.1 1.0
N A:THR177 4.9 87.9 1.0

Magnesium binding site 2 out of 4 in 8zi2

Go back to Magnesium Binding Sites List in 8zi2
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 3


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 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg602

b:61.3
occ:1.00
 O1B B:ATP601 1.8 92.5 1.0
O3G B:ATP601 1.9 108.7 1.0
PB B:ATP601 2.9 95.5 1.0
PG B:ATP601 3.1 112.5 1.0
O3B B:ATP601 3.1 98.6 1.0
O2B B:ATP601 3.8 88.7 1.0
O1G B:ATP601 4.0 94.5 1.0
N B:GLN173 4.0 90.3 1.0
O2G B:ATP601 4.1 85.2 1.0
O3A B:ATP601 4.2 92.4 1.0
CG B:GLN173 4.7 95.3 1.0
CA B:GLN173 4.7 92.7 1.0
O1A B:ATP601 4.9 94.0 1.0
CA B:ARG172 4.9 88.8 1.0
CB B:ARG172 4.9 92.6 1.0
NZ B:LYS176 5.0 76.8 1.0
C B:ARG172 5.0 90.2 1.0

Magnesium binding site 3 out of 4 in 8zi2

Go back to Magnesium Binding Sites List in 8zi2
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 3


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 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg601

b:114.1
occ:1.00
 O3G C:ATP602 2.0 108.5 1.0
O2G C:ATP602 2.5 117.2 1.0
PG C:ATP602 2.7 119.6 1.0
O1B C:ATP602 3.1 102.4 1.0
O3B C:ATP602 3.2 110.7 1.0
PB C:ATP602 3.7 116.4 1.0
NE2 C:GLN201 3.9 96.6 1.0
O1G C:ATP602 4.1 106.5 1.0
O3A C:ATP602 4.3 114.7 1.0
O1A C:ATP602 4.7 103.6 1.0
CD C:GLN201 4.9 89.9 1.0

Magnesium binding site 4 out of 4 in 8zi2

Go back to Magnesium Binding Sites List in 8zi2
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 3


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 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg502

b:30.0
occ:1.00
 O3B D:ADP501 2.4 102.3 1.0
NZ D:LYS154 3.0 74.6 1.0
PB D:ADP501 3.6 105.0 1.0
O2B D:ADP501 3.9 103.6 1.0
NH2 D:ARG181 4.1 108.4 1.0
CE D:LYS154 4.2 81.3 1.0
CA D:ALA150 4.2 81.1 1.0
CD1 D:TYR302 4.2 97.1 1.0
CE1 D:TYR302 4.4 96.9 1.0
CB D:ALA150 4.5 80.4 1.0
O1B D:ADP501 4.5 101.1 1.0
O3A D:ADP501 4.7 94.0 1.0
N D:GLY151 4.7 77.5 1.0
CB C:SER348 4.9 93.0 1.0
N D:ALA150 4.9 81.7 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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