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Magnesium in PDB 2ck3: Azide Inhibited Bovine F1-Atpase

Enzymatic activity of Azide Inhibited Bovine F1-Atpase

All present enzymatic activity of Azide Inhibited Bovine F1-Atpase:
3.6.1.34; 3.6.3.14;

Protein crystallography data

The structure of Azide Inhibited Bovine F1-Atpase, PDB code: 2ck3 was solved by M.W.Bowler, M.G.Montgomery, A.G.W.Leslie, J.E.Walker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.9
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 261.160, 105.220, 122.730, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 22.6

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Azide Inhibited Bovine F1-Atpase (pdb code 2ck3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Azide Inhibited Bovine F1-Atpase, PDB code: 2ck3:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 2ck3

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Magnesium binding site 1 out of 5 in the Azide Inhibited Bovine F1-Atpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Azide Inhibited Bovine F1-Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:14.8
occ:1.00
 O2B A:ANP600 2.0 12.9 1.0
O2G A:ANP600 2.1 14.2 1.0
O A:HOH2218 2.1 15.1 1.0
O A:HOH2376 2.2 15.5 1.0
O A:HOH2164 2.2 14.8 1.0
OG1 A:THR176 2.2 14.1 1.0
PB A:ANP600 3.2 12.9 1.0
CB A:THR176 3.3 11.9 1.0
PG A:ANP600 3.3 17.7 1.0
N3B A:ANP600 3.5 16.0 1.0
N A:THR176 4.0 10.8 1.0
O A:HOH2375 4.0 24.4 1.0
OD2 A:ASP269 4.1 14.8 1.0
O1G A:ANP600 4.1 15.0 1.0
OD1 A:ASP269 4.1 11.7 1.0
CA A:THR176 4.2 11.4 1.0
O1A A:ANP600 4.2 13.5 1.0
O A:HOH2219 4.3 15.1 1.0
O1B A:ANP600 4.3 12.9 1.0
O A:HOH2378 4.3 23.1 1.0
O3A A:ANP600 4.3 14.7 1.0
CG2 A:THR176 4.4 15.7 1.0
O A:HOH2220 4.4 27.0 1.0
O3G A:ANP600 4.4 18.1 1.0
O A:HOH2072 4.4 17.1 1.0
CG A:ASP269 4.6 12.5 1.0
O A:HOH2180 4.6 15.5 1.0
PA A:ANP600 4.6 14.6 1.0
O A:HOH2083 4.7 21.6 1.0
O A:HOH2266 4.9 15.2 1.0
O2A A:ANP600 4.9 14.7 1.0

Magnesium binding site 2 out of 5 in 2ck3

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Magnesium binding site 2 out of 5 in the Azide Inhibited Bovine F1-Atpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Azide Inhibited Bovine F1-Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:19.3
occ:1.00
 O2B B:ANP600 2.0 19.3 1.0
OG1 B:THR176 2.1 12.6 1.0
O2G B:ANP600 2.1 19.0 1.0
O B:HOH2209 2.1 18.6 1.0
O B:HOH2271 2.1 17.1 1.0
O B:HOH2405 2.2 14.6 1.0
PB B:ANP600 3.2 14.6 1.0
CB B:THR176 3.2 12.9 1.0
PG B:ANP600 3.3 18.7 1.0
N3B B:ANP600 3.4 13.5 1.0
O B:HOH2403 3.9 23.9 1.0
N B:THR176 3.9 11.6 1.0
OD1 B:ASP269 4.0 15.8 1.0
O B:HOH2402 4.0 27.0 1.0
OD2 B:ASP269 4.1 14.3 1.0
O1G B:ANP600 4.1 16.2 1.0
CA B:THR176 4.1 13.0 1.0
O1B B:ANP600 4.2 13.0 1.0
O1A B:ANP600 4.2 15.3 1.0
CG2 B:THR176 4.3 12.9 1.0
O B:HOH2229 4.3 20.4 1.0
O3A B:ANP600 4.4 15.4 1.0
O3G B:ANP600 4.4 16.3 1.0
O B:HOH2272 4.4 19.8 1.0
O B:HOH2251 4.4 35.9 1.0
CG B:ASP269 4.5 20.8 1.0
O B:HOH2273 4.7 24.7 1.0
PA B:ANP600 4.7 17.4 1.0
O B:HOH2250 4.8 24.5 1.0
O B:HOH2404 5.0 16.3 1.0
O2A B:ANP600 5.0 14.6 1.0
CB B:LYS175 5.0 12.1 1.0

Magnesium binding site 3 out of 5 in 2ck3

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Magnesium binding site 3 out of 5 in the Azide Inhibited Bovine F1-Atpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Azide Inhibited Bovine F1-Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg601

b:17.1
occ:1.00
 O2G C:ANP600 2.0 15.6 1.0
O2B C:ANP600 2.0 17.0 1.0
O C:HOH2203 2.1 15.7 1.0
OG1 C:THR176 2.1 17.9 1.0
O C:HOH2377 2.2 13.0 1.0
O C:HOH2154 2.2 16.9 1.0
PB C:ANP600 3.2 16.3 1.0
CB C:THR176 3.2 12.6 1.0
PG C:ANP600 3.3 17.8 1.0
N3B C:ANP600 3.5 12.5 1.0
O C:HOH2376 3.9 31.0 1.0
N C:THR176 3.9 13.2 1.0
O1G C:ANP600 4.0 16.1 1.0
O C:HOH2373 4.1 26.7 1.0
OD2 C:ASP269 4.1 16.9 1.0
CA C:THR176 4.2 13.4 1.0
OD1 C:ASP269 4.2 20.8 1.0
O1A C:ANP600 4.2 14.5 1.0
O1B C:ANP600 4.3 15.9 1.0
CG2 C:THR176 4.3 9.3 1.0
O C:HOH2171 4.4 21.2 1.0
O3A C:ANP600 4.4 18.3 1.0
O C:HOH2204 4.4 23.1 1.0
O C:HOH2205 4.4 15.8 1.0
O3G C:ANP600 4.4 19.9 1.0
O C:HOH2189 4.5 24.9 1.0
CG C:ASP269 4.6 26.2 1.0
PA C:ANP600 4.7 16.1 1.0
O F:HOH2223 4.7 21.4 1.0
O2A C:ANP600 4.8 13.0 1.0

Magnesium binding site 4 out of 5 in 2ck3

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Magnesium binding site 4 out of 5 in the Azide Inhibited Bovine F1-Atpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Azide Inhibited Bovine F1-Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg601

b:17.0
occ:1.00
 O D:HOH2379 2.0 14.5 1.0
O D:HOH2202 2.1 14.8 1.0
OG1 D:THR163 2.1 11.5 1.0
O2B D:ADP600 2.1 10.4 1.0
O D:HOH2381 2.1 13.5 1.0
O D:HOH2163 2.1 17.7 1.0
CB D:THR163 3.2 17.2 1.0
PB D:ADP600 3.3 15.3 1.0
O3B D:ADP600 3.5 14.7 1.0
NH1 D:ARG189 3.8 19.8 1.0
N D:THR163 4.0 18.1 1.0
OD2 D:ASP256 4.0 16.2 1.0
O1A D:ADP600 4.1 16.5 1.0
CA D:THR163 4.1 19.3 1.0
O D:HOH2162 4.2 17.3 1.0
OD1 D:ASP256 4.2 17.7 1.0
OE1 D:GLU188 4.2 24.7 1.0
CG2 D:THR163 4.2 16.6 1.0
OE2 D:GLU192 4.2 23.1 1.0
O3A D:ADP600 4.2 19.4 1.0
NH1 C:ARG373 4.3 16.0 1.0
OE1 D:GLU192 4.4 16.1 1.0
O1B D:ADP600 4.4 16.4 1.0
PA D:ADP600 4.5 17.7 1.0
O D:HOH2161 4.5 19.5 1.0
CG D:ASP256 4.6 17.6 1.0
O2A D:ADP600 4.6 13.1 1.0
CE D:LYS162 4.7 7.4 1.0
N1 D:AZI1092 4.7 17.9 1.0
CD D:GLU188 4.7 19.9 1.0
CD D:GLU192 4.7 21.9 1.0
N2 D:AZI1092 4.8 25.7 1.0
CB D:LYS162 4.8 17.4 1.0

Magnesium binding site 5 out of 5 in 2ck3

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Magnesium binding site 5 out of 5 in the Azide Inhibited Bovine F1-Atpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Azide Inhibited Bovine F1-Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg601

b:13.9
occ:1.00
 O2G F:ANP600 2.0 15.9 1.0
O F:HOH2251 2.1 16.2 1.0
OG1 F:THR163 2.1 12.6 1.0
O F:HOH2480 2.1 15.6 1.0
O2B F:ANP600 2.2 18.0 1.0
O F:HOH2299 2.2 14.8 1.0
CB F:THR163 3.2 14.7 1.0
PG F:ANP600 3.3 18.2 1.0
PB F:ANP600 3.3 15.1 1.0
N3B F:ANP600 3.6 19.9 1.0
NH1 F:ARG189 4.0 16.5 1.0
N F:THR163 4.0 13.2 1.0
O F:HOH2250 4.0 14.3 1.0
OD2 F:ASP256 4.1 17.7 1.0
O1A F:ANP600 4.1 14.7 1.0
OE1 F:GLU188 4.1 19.8 1.0
OE2 F:GLU192 4.1 17.1 1.0
CA F:THR163 4.2 12.0 1.0
O3G F:ANP600 4.2 22.2 1.0
CG2 F:THR163 4.3 14.7 1.0
OD1 F:ASP256 4.3 14.8 1.0
O1G F:ANP600 4.3 16.0 1.0
O1B F:ANP600 4.4 12.9 1.0
O3A F:ANP600 4.4 12.3 1.0
OE1 F:GLU192 4.5 15.1 1.0
CE F:LYS162 4.6 13.7 1.0
CG F:ASP256 4.7 18.4 1.0
PA F:ANP600 4.7 15.6 1.0
CB F:LYS162 4.7 17.3 1.0
CD F:GLU188 4.7 21.0 1.0
CD F:GLU192 4.7 20.7 1.0
NH1 B:ARG373 4.7 22.2 1.0
O F:HOH2252 4.7 23.2 1.0
NZ F:LYS162 5.0 13.8 1.0

Reference:

M.W.Bowler, M.G.Montgomery, A.G.Leslie, J.E.Walker. How Azide Inhibits Atp Hydrolysis By the F-Atpases. Proc.Natl.Acad.Sci.Usa V. 103 8646 2006.
ISSN: ISSN 0027-8424
PubMed: 16728506
DOI: 10.1073/PNAS.0602915103
Page generated: Sun Aug 10 10:18:09 2025

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