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Magnesium in PDB 2jj1: The Structure of F1-Atpase Inhibited By Piceatannol.

Enzymatic activity of The Structure of F1-Atpase Inhibited By Piceatannol.

All present enzymatic activity of The Structure of F1-Atpase Inhibited By Piceatannol.:
3.6.1.34;

Protein crystallography data

The structure of The Structure of F1-Atpase Inhibited By Piceatannol., PDB code: 2jj1 was solved by J.R.Gledhill, 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) 72.74 / 2.7
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 106.957, 281.176, 138.785, 90.00, 89.58, 90.00
R / Rfree (%) 20.2 / 26.9

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Structure of F1-Atpase Inhibited By Piceatannol. (pdb code 2jj1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 10 binding sites of Magnesium where determined in the The Structure of F1-Atpase Inhibited By Piceatannol., PDB code: 2jj1:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 10 in 2jj1

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Magnesium binding site 1 out of 10 in the The Structure of F1-Atpase Inhibited By Piceatannol.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Structure of F1-Atpase Inhibited By Piceatannol. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1512

b:19.4
occ:1.00
O A:HOH2051 2.0 22.1 1.0
O A:HOH2101 2.1 15.2 1.0
O A:HOH2033 2.1 15.6 1.0
O2G A:ANP1511 2.2 27.9 1.0
O2B A:ANP1511 2.2 23.4 1.0
OG1 A:THR176 2.2 31.2 1.0
CB A:THR176 3.1 24.3 1.0
PB A:ANP1511 3.4 24.6 1.0
PG A:ANP1511 3.4 32.7 1.0
N3B A:ANP1511 3.7 25.5 1.0
N A:THR176 3.7 24.6 1.0
CA A:THR176 3.9 24.4 1.0
OD2 A:ASP269 4.1 27.7 1.0
O A:HOH2052 4.1 2.0 1.0
OD1 A:ASP269 4.2 26.1 1.0
O1A A:ANP1511 4.3 24.7 1.0
CG2 A:THR176 4.3 27.4 1.0
O3A A:ANP1511 4.4 27.4 1.0
O3G A:ANP1511 4.4 21.3 1.0
O1G A:ANP1511 4.4 25.7 1.0
O1B A:ANP1511 4.5 23.1 1.0
CG A:ASP269 4.6 26.2 1.0
PA A:ANP1511 4.7 24.5 1.0
O2A A:ANP1511 4.8 31.8 1.0
C A:LYS175 4.8 24.2 1.0
O A:HOH2042 4.8 20.3 1.0
CB A:LYS175 4.9 21.2 1.0

Magnesium binding site 2 out of 10 in 2jj1

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Magnesium binding site 2 out of 10 in the The Structure of F1-Atpase Inhibited By Piceatannol.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Structure of F1-Atpase Inhibited By Piceatannol. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1511

b:28.0
occ:1.00
OG1 B:THR176 2.0 24.6 1.0
O B:HOH2050 2.0 19.8 1.0
O B:HOH2081 2.1 24.2 1.0
O2B B:ANP1510 2.2 27.8 1.0
O B:HOH2035 2.2 25.0 1.0
O2G B:ANP1510 2.2 20.1 1.0
CB B:THR176 3.1 26.9 1.0
PB B:ANP1510 3.2 30.6 1.0
N3B B:ANP1510 3.3 23.4 1.0
PG B:ANP1510 3.3 22.2 1.0
N B:THR176 3.8 27.1 1.0
CA B:THR176 4.0 27.6 1.0
OD2 B:ASP269 4.2 20.9 1.0
CG2 B:THR176 4.2 31.5 1.0
O1G B:ANP1510 4.2 28.9 1.0
OD1 B:ASP269 4.2 29.3 1.0
O1A B:ANP1510 4.2 14.4 1.0
O1B B:ANP1510 4.3 27.5 1.0
O3A B:ANP1510 4.3 27.0 1.0
O B:HOH2051 4.4 2.2 1.0
O3G B:ANP1510 4.5 26.0 1.0
PA B:ANP1510 4.6 27.1 1.0
CG B:ASP269 4.6 26.3 1.0
O2A B:ANP1510 4.8 25.1 1.0
CB B:LYS175 4.8 26.0 1.0
OE1 B:GLN208 4.9 42.0 1.0
C B:LYS175 4.9 26.1 1.0

Magnesium binding site 3 out of 10 in 2jj1

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Magnesium binding site 3 out of 10 in the The Structure of F1-Atpase Inhibited By Piceatannol.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Structure of F1-Atpase Inhibited By Piceatannol. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1512

b:5.6
occ:1.00
O C:HOH2103 1.9 4.3 1.0
O C:HOH2106 2.0 7.4 1.0
OG1 C:THR176 2.1 11.2 1.0
O2B C:ANP1511 2.2 17.2 1.0
O2G C:ANP1511 2.2 13.8 1.0
O C:HOH2043 2.2 7.1 1.0
CB C:THR176 3.2 15.8 1.0
PB C:ANP1511 3.4 25.5 1.0
PG C:ANP1511 3.5 25.4 1.0
N3B C:ANP1511 3.7 22.9 1.0
O1A C:ANP1511 3.9 14.9 1.0
N C:THR176 4.0 15.7 1.0
CA C:THR176 4.2 15.1 1.0
OD1 C:ASP269 4.2 22.9 1.0
OD2 C:ASP269 4.2 18.0 1.0
CG2 C:THR176 4.2 12.4 1.0
O1G C:ANP1511 4.3 25.3 1.0
O1B C:ANP1511 4.4 24.4 1.0
O3A C:ANP1511 4.5 19.6 1.0
PA C:ANP1511 4.6 21.3 1.0
CG C:ASP269 4.6 21.1 1.0
O C:HOH2057 4.6 31.1 1.0
O3G C:ANP1511 4.6 24.9 1.0
O C:HOH2058 4.8 18.6 1.0
O C:HOH2104 4.9 2.0 1.0
O2A C:ANP1511 4.9 22.7 1.0

Magnesium binding site 4 out of 10 in 2jj1

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Magnesium binding site 4 out of 10 in the The Structure of F1-Atpase Inhibited By Piceatannol.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of The Structure of F1-Atpase Inhibited By Piceatannol. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1477

b:18.5
occ:1.00
O D:HOH2049 2.0 14.5 1.0
O D:HOH2039 2.1 15.8 1.0
O D:HOH2095 2.1 14.0 1.0
O D:HOH2098 2.1 12.5 1.0
OG1 D:THR163 2.1 22.4 1.0
O2B D:ADP1476 2.3 20.9 1.0
CB D:THR163 3.4 18.5 1.0
PB D:ADP1476 3.5 21.0 1.0
O3B D:ADP1476 3.7 22.3 1.0
OD2 D:ASP256 3.8 18.4 1.0
NH1 D:ARG189 3.9 15.4 1.0
O1A D:ADP1476 4.1 11.2 1.0
OD1 D:ASP256 4.1 24.8 1.0
OE1 D:GLU188 4.1 27.4 1.0
N1 D:AZI1478 4.1 31.7 1.0
N D:THR163 4.1 20.1 1.0
CA D:THR163 4.3 19.9 1.0
N2 D:AZI1478 4.3 33.8 1.0
CG2 D:THR163 4.3 18.7 1.0
CG D:ASP256 4.4 20.2 1.0
OE1 D:GLU192 4.4 24.8 1.0
CD D:GLU188 4.4 26.7 1.0
OE2 D:GLU192 4.4 25.6 1.0
O3A D:ADP1476 4.5 21.1 1.0
NH1 C:ARG373 4.5 7.5 1.0
CE D:LYS162 4.6 12.0 1.0
PA D:ADP1476 4.6 25.1 1.0
O1B D:ADP1476 4.7 18.4 1.0
CG D:GLU188 4.7 18.9 1.0
N3 D:AZI1478 4.8 20.6 1.0
CD D:GLU192 4.8 25.8 1.0
CB D:LYS162 4.9 20.0 1.0
NZ D:LYS162 4.9 16.2 1.0
O2A D:ADP1476 4.9 19.9 1.0
OE2 D:GLU188 5.0 31.9 1.0

Magnesium binding site 5 out of 10 in 2jj1

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Magnesium binding site 5 out of 10 in the The Structure of F1-Atpase Inhibited By Piceatannol.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of The Structure of F1-Atpase Inhibited By Piceatannol. within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg1476

b:15.8
occ:1.00
O F:HOH2102 2.0 21.9 1.0
O F:HOH2103 2.0 10.8 1.0
O F:HOH2032 2.1 19.1 1.0
OG1 F:THR163 2.2 22.2 1.0
O2G F:ANP1475 2.2 12.6 1.0
O2B F:ANP1475 2.2 19.5 1.0
CB F:THR163 3.1 25.8 1.0
PB F:ANP1475 3.4 15.6 1.0
PG F:ANP1475 3.4 18.7 1.0
OE1 F:GLU188 3.5 29.7 1.0
N3B F:ANP1475 3.6 19.0 1.0
OD2 F:ASP256 3.8 26.2 1.0
NH1 F:ARG189 3.9 32.3 1.0
O1A F:ANP1475 4.0 17.4 1.0
CG2 F:THR163 4.1 25.0 1.0
OE2 F:GLU192 4.1 21.6 1.0
N F:THR163 4.2 26.3 1.0
CA F:THR163 4.2 26.1 1.0
OD1 F:ASP256 4.3 33.5 1.0
O1G F:ANP1475 4.3 20.3 1.0
O1B F:ANP1475 4.4 21.1 1.0
CD F:GLU188 4.5 29.1 1.0
O3G F:ANP1475 4.5 20.3 1.0
O F:HOH2034 4.5 13.3 1.0
O3A F:ANP1475 4.5 23.1 1.0
CG F:ASP256 4.5 24.0 1.0
OE1 F:GLU192 4.6 18.6 1.0
O F:HOH2033 4.6 2.3 1.0
PA F:ANP1475 4.6 23.8 1.0
CE F:LYS162 4.7 20.0 1.0
CD F:GLU192 4.8 22.0 1.0
CB F:LYS162 4.8 23.3 1.0
O F:HOH2047 4.8 2.1 1.0
O2A F:ANP1475 4.9 27.6 1.0
NZ F:LYS162 4.9 12.5 1.0
NH1 B:ARG373 4.9 29.2 1.0

Magnesium binding site 6 out of 10 in 2jj1

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Magnesium binding site 6 out of 10 in the The Structure of F1-Atpase Inhibited By Piceatannol.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of The Structure of F1-Atpase Inhibited By Piceatannol. within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mg1512

b:28.9
occ:1.00
O H:HOH2041 2.1 37.6 1.0
O H:HOH2076 2.1 20.7 1.0
O2B H:ANP1511 2.2 31.3 1.0
O2G H:ANP1511 2.2 28.8 1.0
OG1 H:THR176 2.2 27.5 1.0
O H:HOH2075 2.3 33.4 1.0
PB H:ANP1511 3.4 26.6 1.0
O H:HOH2077 3.4 26.1 1.0
CB H:THR176 3.4 23.5 1.0
PG H:ANP1511 3.5 24.3 1.0
N3B H:ANP1511 3.8 21.6 1.0
OD1 H:ASP269 3.9 33.5 1.0
OD2 H:ASP269 3.9 30.1 1.0
N H:THR176 4.0 24.5 1.0
O1B H:ANP1511 4.2 28.0 1.0
CA H:THR176 4.2 24.8 1.0
O3G H:ANP1511 4.3 22.9 1.0
CG H:ASP269 4.3 29.0 1.0
O H:HOH2010 4.4 12.2 1.0
CG2 H:THR176 4.5 25.4 1.0
O1A H:ANP1511 4.5 25.1 1.0
O1G H:ANP1511 4.5 11.4 1.0
O3A H:ANP1511 4.6 29.1 1.0
CB H:LYS175 4.8 22.9 1.0
NZ H:LYS175 4.8 18.3 1.0
O H:HOH2053 4.9 12.5 1.0
C H:LYS175 4.9 24.4 1.0
PA H:ANP1511 5.0 28.5 1.0

Magnesium binding site 7 out of 10 in 2jj1

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Magnesium binding site 7 out of 10 in the The Structure of F1-Atpase Inhibited By Piceatannol.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of The Structure of F1-Atpase Inhibited By Piceatannol. within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mg1511

b:24.5
occ:1.00
O I:HOH2026 2.0 21.1 1.0
OG1 I:THR176 2.1 28.1 1.0
O I:HOH2086 2.1 21.4 1.0
O I:HOH2027 2.1 23.9 1.0
O2B I:ANP1510 2.2 28.3 1.0
O2G I:ANP1510 2.2 22.7 1.0
CB I:THR176 3.1 27.7 1.0
PG I:ANP1510 3.4 26.4 1.0
PB I:ANP1510 3.4 30.1 1.0
N3B I:ANP1510 3.7 27.0 1.0
O1G I:ANP1510 3.9 19.2 1.0
N I:THR176 3.9 28.0 1.0
OD1 I:ASP269 4.0 30.0 1.0
CA I:THR176 4.1 27.6 1.0
O1A I:ANP1510 4.1 25.2 1.0
CG2 I:THR176 4.1 28.7 1.0
OD2 I:ASP269 4.2 25.0 1.0
O3A I:ANP1510 4.2 32.8 1.0
CG I:ASP269 4.5 28.6 1.0
PA I:ANP1510 4.5 30.3 1.0
O1B I:ANP1510 4.6 32.4 1.0
O3G I:ANP1510 4.7 25.5 1.0
O2A I:ANP1510 4.8 32.7 1.0

Magnesium binding site 8 out of 10 in 2jj1

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Magnesium binding site 8 out of 10 in the The Structure of F1-Atpase Inhibited By Piceatannol.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of The Structure of F1-Atpase Inhibited By Piceatannol. within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mg1512

b:4.7
occ:1.00
O J:HOH2102 2.0 10.4 1.0
O J:HOH2101 2.0 3.9 1.0
O2G J:ANP1511 2.2 21.5 1.0
O2B J:ANP1511 2.2 12.3 1.0
O J:HOH2037 2.3 2.0 1.0
OG1 J:THR176 2.3 12.8 1.0
CB J:THR176 3.1 16.9 1.0
PG J:ANP1511 3.2 29.6 1.0
PB J:ANP1511 3.3 23.5 1.0
N3B J:ANP1511 3.4 21.6 1.0
O1G J:ANP1511 3.5 26.4 1.0
O1A J:ANP1511 3.8 23.6 1.0
O J:HOH2040 3.9 19.3 1.0
N J:THR176 4.0 16.5 1.0
CA J:THR176 4.1 16.5 1.0
CG2 J:THR176 4.2 12.4 1.0
O3A J:ANP1511 4.4 17.4 1.0
O1B J:ANP1511 4.4 23.3 1.0
OD2 J:ASP269 4.4 18.3 1.0
PA J:ANP1511 4.5 19.2 1.0
OD1 J:ASP269 4.5 20.7 1.0
O3G J:ANP1511 4.5 16.5 1.0
O2A J:ANP1511 4.8 21.7 1.0
CG J:ASP269 4.9 22.0 1.0

Magnesium binding site 9 out of 10 in 2jj1

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Magnesium binding site 9 out of 10 in the The Structure of F1-Atpase Inhibited By Piceatannol.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of The Structure of F1-Atpase Inhibited By Piceatannol. within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Mg1477

b:22.5
occ:1.00
O K:HOH2038 2.0 9.3 1.0
O K:HOH2041 2.0 13.4 1.0
OG1 K:THR163 2.1 19.8 1.0
O K:HOH2046 2.1 17.7 1.0
O K:HOH2092 2.2 11.1 1.0
O2B K:ADP1476 2.2 24.3 1.0
CB K:THR163 3.4 17.1 1.0
PB K:ADP1476 3.4 25.4 1.0
O3B K:ADP1476 3.6 22.4 1.0
OD2 K:ASP256 3.7 21.9 1.0
NH1 K:ARG189 3.8 26.1 1.0
OE1 K:GLU188 3.9 36.6 1.0
O K:HOH2093 4.0 20.4 1.0
OD1 K:ASP256 4.1 21.6 1.0
N K:THR163 4.1 18.6 1.0
O1A K:ADP1476 4.3 21.2 1.0
OE1 K:GLU192 4.3 28.1 1.0
CG2 K:THR163 4.3 17.6 1.0
CA K:THR163 4.3 18.5 1.0
NH1 J:ARG373 4.3 11.4 1.0
CG K:ASP256 4.4 21.3 1.0
O3A K:ADP1476 4.4 19.5 1.0
CD K:GLU188 4.5 31.7 1.0
OE2 K:GLU192 4.5 22.0 1.0
O1B K:ADP1476 4.5 21.8 1.0
N1 K:AZI1478 4.6 19.7 1.0
N2 K:AZI1478 4.6 16.5 1.0
PA K:ADP1476 4.6 18.7 1.0
CG K:GLU188 4.7 21.6 1.0
O2A K:ADP1476 4.7 17.0 1.0
CE K:LYS162 4.7 11.3 1.0
CD K:GLU192 4.8 26.1 1.0
CZ K:ARG189 4.9 23.2 1.0
N3 K:AZI1478 5.0 9.1 1.0

Magnesium binding site 10 out of 10 in 2jj1

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Magnesium binding site 10 out of 10 in the The Structure of F1-Atpase Inhibited By Piceatannol.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of The Structure of F1-Atpase Inhibited By Piceatannol. within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Mg1476

b:18.9
occ:1.00
O M:HOH2044 1.9 18.7 1.0
O M:HOH2104 2.0 17.3 1.0
O M:HOH2103 2.1 20.1 1.0
O2G M:ANP1475 2.2 14.8 1.0
O2B M:ANP1475 2.2 21.4 1.0
OG1 M:THR163 2.2 25.5 1.0
CB M:THR163 3.3 28.6 1.0
PB M:ANP1475 3.4 15.9 1.0
PG M:ANP1475 3.5 14.3 1.0
OE1 M:GLU188 3.6 25.3 1.0
N3B M:ANP1475 3.7 14.7 1.0
OE2 M:GLU192 3.8 31.3 1.0
OD2 M:ASP256 3.9 15.2 1.0
NH1 M:ARG189 3.9 30.8 1.0
O1A M:ANP1475 4.1 15.8 1.0
N M:THR163 4.1 28.2 1.0
O M:HOH2045 4.2 7.5 1.0
CG2 M:THR163 4.3 24.2 1.0
CA M:THR163 4.3 27.4 1.0
OD1 M:ASP256 4.4 28.2 1.0
O M:HOH2046 4.4 8.6 1.0
O1B M:ANP1475 4.4 19.6 1.0
O1G M:ANP1475 4.4 14.3 1.0
O3G M:ANP1475 4.4 11.9 1.0
CD M:GLU188 4.5 28.5 1.0
O3A M:ANP1475 4.5 17.9 1.0
CG M:ASP256 4.6 19.1 1.0
OE1 M:GLU192 4.6 29.6 1.0
CD M:GLU192 4.6 24.9 1.0
PA M:ANP1475 4.6 26.9 1.0
CB M:LYS162 4.7 23.5 1.0
O2A M:ANP1475 4.7 25.5 1.0
CE M:LYS162 4.9 22.9 1.0
NH1 I:ARG373 5.0 22.2 1.0

Reference:

J.R.Gledhill, M.G.Montgomery, A.G.W.Leslie, J.E.Walker. Mechanism of Inhibition of Bovine F1-Atpase By Resveratrol and Related Polyphenols. Proc.Nat.Acad.Sci.Usa V. 104 13632 2007.
ISSN: ISSN 0027-8424
PubMed: 17698806
DOI: 10.1073/PNAS.0706290104
Page generated: Mon Dec 14 07:29:48 2020

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