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Magnesium in PDB 8zi1: Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 2

Enzymatic activity of Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 2

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 2:
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 2 (pdb code 8zi1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 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 2, PDB code: 8zi1:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 8zi1

Go back to Magnesium Binding Sites List in 8zi1
Magnesium binding site 1 out of 3 in the Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 2


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

b:89.0
occ:1.00
OG1 A:THR177 2.0 80.1 1.0
O2B A:ATP601 2.1 109.7 1.0
O3G A:ATP601 2.2 103.7 1.0
CB A:THR177 3.1 68.1 1.0
PB A:ATP601 3.4 101.9 1.0
PG A:ATP601 3.5 106.8 1.0
O3B A:ATP601 3.5 102.5 1.0
OE1 A:GLN201 3.9 81.6 1.0
CG2 A:THR177 4.0 68.2 1.0
N A:THR177 4.1 70.4 1.0
CA A:THR177 4.2 68.1 1.0
OD1 A:ASP262 4.3 80.3 1.0
O1B A:ATP601 4.3 103.1 1.0
O2G A:ATP601 4.4 107.4 1.0
O3A A:ATP601 4.4 99.2 1.0
O1G A:ATP601 4.5 101.1 1.0
O1A A:ATP601 4.7 105.4 1.0
CD A:GLN201 4.7 78.5 1.0
NE2 A:GLN201 4.7 76.0 1.0
O2A A:ATP601 4.8 108.5 1.0
PA A:ATP601 4.9 108.9 1.0

Magnesium binding site 2 out of 3 in 8zi1

Go back to Magnesium Binding Sites List in 8zi1
Magnesium binding site 2 out of 3 in the Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 2


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

b:103.9
occ:1.00
O2B B:ATP601 1.9 85.5 1.0
O1G B:ATP601 1.9 87.5 1.0
PG B:ATP601 2.3 93.9 1.0
O3B B:ATP601 2.3 83.9 1.0
PB B:ATP601 2.3 85.0 1.0
O2G B:ATP601 2.7 66.4 1.0
O1B B:ATP601 2.9 78.5 1.0
OG1 B:THR177 3.4 76.0 1.0
O3G B:ATP601 3.8 88.5 1.0
O3A B:ATP601 3.8 74.4 1.0
CE B:LYS176 4.4 49.5 1.0
NZ B:LYS176 4.4 57.5 1.0
N B:THR177 4.5 60.7 1.0
CB B:THR177 4.5 64.1 1.0
O1A B:ATP601 4.5 85.0 1.0
CB B:LYS176 4.7 62.4 1.0
PA B:ATP601 4.8 77.3 1.0
OD1 B:ASP262 4.8 69.5 1.0

Magnesium binding site 3 out of 3 in 8zi1

Go back to Magnesium Binding Sites List in 8zi1
Magnesium binding site 3 out of 3 in the Cryo-Em Reveals Transition States of the Acinetobacter Baumannii F1- Atpase Rotary Subunits Gamma and Epsilon and Novel Compound Targets - Conformation 2


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

b:110.5
occ:1.00
O2G C:ATP602 1.8 102.2 1.0
OG1 C:THR177 2.1 87.4 1.0
O2B C:ATP602 2.2 104.4 1.0
PG C:ATP602 3.1 120.5 1.0
PB C:ATP602 3.3 101.1 1.0
O3B C:ATP602 3.3 108.0 1.0
CB C:THR177 3.3 73.9 1.0
O3G C:ATP602 4.1 105.8 1.0
O1G C:ATP602 4.1 110.3 1.0
OD2 C:ASP262 4.2 82.3 1.0
CG2 C:THR177 4.2 69.4 1.0
O1A C:ATP602 4.2 107.6 1.0
NE2 C:GLN201 4.2 96.5 1.0
N C:THR177 4.2 82.4 1.0
O1B C:ATP602 4.3 103.3 1.0
CA C:THR177 4.4 72.8 1.0
O3A C:ATP602 4.4 96.8 1.0
OD1 C:ASP262 4.5 79.7 1.0
CG C:ASP262 4.8 80.5 1.0
PA C:ATP602 4.9 103.0 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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