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Fluorine in PDB 1h8e: (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied)

Enzymatic activity of (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied)

All present enzymatic activity of (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied):
3.6.1.34;

Protein crystallography data

The structure of (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied), PDB code: 1h8e was solved by R.I.Menz, J.E.Walker, A.G.W.Leslie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 13.5 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 267.700, 106.200, 138.300, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 26.4

Other elements in 1h8e:

The structure of (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied) also contains other interesting chemical elements:

Magnesium (Mg) 6 atoms
Aluminium (Al) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied) (pdb code 1h8e). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied), PDB code: 1h8e:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 1h8e

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Fluorine binding site 1 out of 8 in the (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F620

b:40.4
occ:1.00
F1 D:ALF620 0.0 40.4 1.0
AL D:ALF620 1.8 37.9 1.0
F4 D:ALF620 2.5 41.3 1.0
F3 D:ALF620 2.5 39.2 1.0
O3B D:ADP600 2.8 29.6 1.0
CA D:ALA158 3.0 24.5 1.0
NZ D:LYS162 3.1 24.1 1.0
CE1 D:TYR311 3.2 25.5 1.0
O D:HOH2120 3.2 24.9 1.0
CD1 D:TYR311 3.2 24.7 1.0
N D:GLY159 3.3 25.2 1.0
F2 D:ALF620 3.6 37.9 1.0
C D:ALA158 3.7 27.1 1.0
CB D:ALA158 3.7 24.6 1.0
O D:GLY157 3.7 25.9 1.0
CB C:SER344 3.8 30.2 1.0
N D:ALA158 3.9 23.7 1.0
O D:HOH2121 3.9 31.9 1.0
PB D:ADP600 4.0 27.4 1.0
CE D:LYS162 4.1 24.3 1.0
C D:GLY157 4.1 25.8 1.0
CA C:SER344 4.1 24.5 1.0
O1B D:ADP600 4.3 27.1 1.0
CZ D:TYR311 4.5 24.2 1.0
CG D:TYR311 4.6 26.3 1.0
CA D:GLY159 4.6 26.8 1.0
O2B D:ADP600 4.7 24.0 1.0
O C:SER344 4.8 23.7 1.0
NH2 C:ARG373 4.9 23.1 1.0
O D:ALA158 4.9 22.8 1.0
O D:HOH2155 5.0 31.3 1.0
NH1 C:ARG373 5.0 23.9 1.0
NH2 D:ARG260 5.0 34.5 1.0
O D:GLY156 5.0 25.5 1.0

Fluorine binding site 2 out of 8 in 1h8e

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Fluorine binding site 2 out of 8 in the (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F620

b:37.9
occ:1.00
F2 D:ALF620 0.0 37.9 1.0
AL D:ALF620 1.8 37.9 1.0
MG D:MG601 2.1 30.6 1.0
F4 D:ALF620 2.5 41.3 1.0
F3 D:ALF620 2.5 39.2 1.0
O D:HOH2120 2.5 24.9 1.0
O3B D:ADP600 2.7 29.6 1.0
O D:HOH2122 2.8 28.1 1.0
O D:HOH2155 2.8 31.3 1.0
OE1 D:GLU188 2.9 29.6 1.0
O2B D:ADP600 3.0 24.0 1.0
NH1 D:ARG189 3.2 27.7 1.0
O D:HOH2125 3.2 25.9 1.0
PB D:ADP600 3.4 27.4 1.0
F1 D:ALF620 3.6 40.4 1.0
O D:HOH2121 3.6 31.9 1.0
NH1 C:ARG373 3.7 23.9 1.0
CD D:GLU188 3.9 30.4 1.0
NH2 D:ARG189 4.1 29.9 1.0
CZ D:ARG189 4.1 27.9 1.0
OG1 D:THR163 4.2 32.5 1.0
O3A D:ADP600 4.4 28.6 1.0
OE2 D:GLU188 4.5 35.9 1.0
O1B D:ADP600 4.6 27.1 1.0
O C:SER344 4.6 23.7 1.0
NZ D:LYS162 4.7 24.1 1.0
CG D:GLU188 4.8 26.8 1.0
CZ C:ARG373 4.8 22.4 1.0
CE D:LYS162 4.9 24.3 1.0
OE2 D:GLU192 4.9 25.6 1.0
O2A D:ADP600 4.9 26.1 1.0

Fluorine binding site 3 out of 8 in 1h8e

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Fluorine binding site 3 out of 8 in the (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F620

b:39.2
occ:1.00
F3 D:ALF620 0.0 39.2 1.0
AL D:ALF620 1.8 37.9 1.0
O D:HOH2120 2.5 24.9 1.0
F2 D:ALF620 2.5 37.9 1.0
F1 D:ALF620 2.5 40.4 1.0
O3B D:ADP600 2.6 29.6 1.0
NH1 C:ARG373 3.0 23.9 1.0
NH2 D:ARG189 3.0 29.9 1.0
NH2 C:ARG373 3.1 23.1 1.0
CA C:SER344 3.3 24.5 1.0
O C:SER344 3.4 23.7 1.0
CZ C:ARG373 3.4 22.4 1.0
F4 D:ALF620 3.6 41.3 1.0
C C:SER344 3.7 23.5 1.0
N D:GLY159 3.7 25.2 1.0
NH1 D:ARG189 3.8 27.7 1.0
CB C:SER344 3.8 30.2 1.0
CZ D:ARG189 3.9 27.9 1.0
PB D:ADP600 4.0 27.4 1.0
O C:ILE343 4.1 25.4 1.0
CA D:GLY159 4.4 26.8 1.0
N C:SER344 4.4 23.9 1.0
MG D:MG601 4.4 30.6 1.0
OE1 D:GLU188 4.4 29.6 1.0
CA D:ALA158 4.5 24.5 1.0
O2B D:ADP600 4.5 24.0 1.0
C D:ALA158 4.5 27.1 1.0
O3A D:ADP600 4.6 28.6 1.0
C C:ILE343 4.6 26.2 1.0
NE C:ARG373 4.7 26.7 1.0
N C:ILE345 4.7 23.4 1.0
CB D:ALA158 4.8 24.6 1.0
O D:HOH2125 4.8 25.9 1.0
O D:HOH2121 4.9 31.9 1.0
O1B D:ADP600 5.0 27.1 1.0

Fluorine binding site 4 out of 8 in 1h8e

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Fluorine binding site 4 out of 8 in the (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F620

b:41.3
occ:1.00
F4 D:ALF620 0.0 41.3 1.0
AL D:ALF620 1.8 37.9 1.0
O D:HOH2121 2.1 31.9 1.0
F1 D:ALF620 2.5 40.4 1.0
F2 D:ALF620 2.5 37.9 1.0
O D:HOH2155 2.5 31.3 1.0
NZ D:LYS162 2.6 24.1 1.0
CE D:LYS162 2.6 24.3 1.0
O3B D:ADP600 2.9 29.6 1.0
O D:HOH2120 3.2 24.9 1.0
O2B D:ADP600 3.4 24.0 1.0
MG D:MG601 3.4 30.6 1.0
PB D:ADP600 3.5 27.4 1.0
F3 D:ALF620 3.6 39.2 1.0
O1B D:ADP600 3.8 27.1 1.0
CD1 D:TYR311 4.0 24.7 1.0
ND2 D:ASN257 4.0 23.7 1.0
OE1 D:GLU188 4.0 29.6 1.0
CD D:LYS162 4.1 28.7 1.0
OE2 D:GLU188 4.4 35.9 1.0
CD D:GLU188 4.4 30.4 1.0
O D:HOH2122 4.5 28.1 1.0
CB D:LYS162 4.7 27.4 1.0
CG D:LYS162 4.7 26.6 1.0
CE1 D:TYR311 4.7 25.5 1.0
CB D:TYR311 4.7 26.6 1.0
CG D:ASN257 4.8 31.2 1.0
CG D:TYR311 4.8 26.3 1.0
O D:GLY157 4.9 25.9 1.0

Fluorine binding site 5 out of 8 in 1h8e

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Fluorine binding site 5 out of 8 in the (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F620

b:33.2
occ:1.00
F1 F:ALF620 0.0 33.2 1.0
AL F:ALF620 1.8 33.9 1.0
F4 F:ALF620 2.5 34.0 1.0
F3 F:ALF620 2.5 34.5 1.0
NH1 F:ARG189 2.7 21.8 1.0
NH2 F:ARG189 2.7 20.3 1.0
O3B F:ADP600 2.7 25.3 1.0
O F:HOH2128 2.8 25.7 1.0
NH1 B:ARG373 2.9 29.3 1.0
NH2 B:ARG373 2.9 25.5 1.0
CZ F:ARG189 3.1 26.5 1.0
CZ B:ARG373 3.3 31.1 1.0
F2 F:ALF620 3.6 35.7 1.0
O F:HOH2134 3.7 25.6 1.0
O B:SER344 3.7 26.0 1.0
MG F:MG601 3.8 28.5 1.0
CA B:SER344 3.9 25.0 1.0
PB F:ADP600 3.9 25.1 1.0
C B:SER344 4.1 22.6 1.0
O3A F:ADP600 4.2 25.9 1.0
O2B F:ADP600 4.3 26.9 1.0
N F:GLY159 4.3 22.5 1.0
O B:ILE343 4.3 23.6 1.0
NE F:ARG189 4.4 26.5 1.0
O F:HOH2129 4.5 21.4 1.0
CB B:SER344 4.5 25.2 1.0
OE1 F:GLU188 4.5 25.3 1.0
NE B:ARG373 4.6 24.9 1.0
CA F:GLY159 4.6 22.6 1.0
O2A F:ADP600 5.0 24.5 1.0
N B:SER344 5.0 23.9 1.0

Fluorine binding site 6 out of 8 in 1h8e

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Fluorine binding site 6 out of 8 in the (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F620

b:35.7
occ:1.00
F2 F:ALF620 0.0 35.7 1.0
AL F:ALF620 1.8 33.9 1.0
F4 F:ALF620 2.5 34.0 1.0
F3 F:ALF620 2.5 34.5 1.0
O F:HOH2130 2.6 26.1 1.0
NZ F:LYS162 2.6 20.7 1.0
O F:HOH2128 2.7 25.7 1.0
O3B F:ADP600 2.8 25.3 1.0
CE F:LYS162 3.1 19.5 1.0
CD1 F:TYR311 3.4 26.7 1.0
F1 F:ALF620 3.6 33.2 1.0
O F:HOH2164 3.7 27.3 1.0
PB F:ADP600 3.7 25.1 1.0
CE1 F:TYR311 3.9 26.8 1.0
O2B F:ADP600 4.0 26.9 1.0
O1B F:ADP600 4.0 26.0 1.0
MG F:MG601 4.1 28.5 1.0
CA F:ALA158 4.2 23.9 1.0
N F:GLY159 4.3 22.5 1.0
CB B:SER344 4.3 25.2 1.0
OE1 F:GLU188 4.4 25.3 1.0
O F:GLY157 4.4 24.9 1.0
CG F:TYR311 4.6 27.4 1.0
CD F:LYS162 4.7 19.1 1.0
OE2 F:GLU188 4.7 34.7 1.0
C F:ALA158 4.7 23.0 1.0
N F:ALA158 4.9 22.4 1.0
CD F:GLU188 4.9 31.8 1.0
CA B:SER344 4.9 25.0 1.0
C F:GLY157 4.9 23.9 1.0
O F:HOH2129 4.9 21.4 1.0
NH2 F:ARG260 4.9 30.4 1.0
CB F:TYR311 5.0 24.4 1.0

Fluorine binding site 7 out of 8 in 1h8e

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Fluorine binding site 7 out of 8 in the (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F620

b:34.5
occ:1.00
F3 F:ALF620 0.0 34.5 1.0
AL F:ALF620 1.8 33.9 1.0
MG F:MG601 1.9 28.5 1.0
O F:HOH2128 2.4 25.7 1.0
F2 F:ALF620 2.5 35.7 1.0
F1 F:ALF620 2.5 33.2 1.0
O F:HOH2164 2.6 27.3 1.0
O F:HOH2129 2.6 21.4 1.0
O3B F:ADP600 2.8 25.3 1.0
O2B F:ADP600 3.0 26.9 1.0
OE1 F:GLU188 3.0 25.3 1.0
O F:HOH2134 3.1 25.6 1.0
O F:HOH2130 3.2 26.1 1.0
PB F:ADP600 3.3 25.1 1.0
NH1 F:ARG189 3.5 21.8 1.0
F4 F:ALF620 3.6 34.0 1.0
CD F:GLU188 3.9 31.8 1.0
OG1 F:THR163 4.0 29.9 1.0
NZ F:LYS162 4.3 20.7 1.0
OE2 F:GLU188 4.4 34.7 1.0
O3A F:ADP600 4.4 25.9 1.0
CE F:LYS162 4.4 19.5 1.0
O1B F:ADP600 4.4 26.0 1.0
NH1 B:ARG373 4.6 29.3 1.0
CZ F:ARG189 4.6 26.5 1.0
NH2 F:ARG189 4.8 20.3 1.0
O B:SER344 4.8 26.0 1.0
CG F:GLU188 4.9 30.9 1.0

Fluorine binding site 8 out of 8 in 1h8e

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Fluorine binding site 8 out of 8 in the (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of (Adp.ALF4)2(Adp.SO4) Bovine F1-Atpase (All Three Catalytic Sites Occupied) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F620

b:34.0
occ:1.00
F4 F:ALF620 0.0 34.0 1.0
AL F:ALF620 1.8 33.9 1.0
F2 F:ALF620 2.5 35.7 1.0
F1 F:ALF620 2.5 33.2 1.0
O3B F:ADP600 2.7 25.3 1.0
N F:GLY159 2.8 22.5 1.0
CA F:ALA158 3.0 23.9 1.0
O F:HOH2128 3.0 25.7 1.0
CA B:SER344 3.1 25.0 1.0
CB B:SER344 3.1 25.2 1.0
C F:ALA158 3.3 23.0 1.0
CB F:ALA158 3.4 23.8 1.0
F3 F:ALF620 3.6 34.5 1.0
CA F:GLY159 3.8 22.6 1.0
NH2 B:ARG373 3.9 25.5 1.0
N B:SER344 3.9 23.9 1.0
C B:SER344 4.1 22.6 1.0
PB F:ADP600 4.1 25.1 1.0
O B:SER344 4.2 26.0 1.0
O B:ILE343 4.2 23.6 1.0
CE1 F:TYR311 4.3 26.8 1.0
NZ F:LYS162 4.3 20.7 1.0
N F:ALA158 4.3 22.4 1.0
C B:ILE343 4.4 24.4 1.0
O F:ALA158 4.4 25.3 1.0
NH2 F:ARG189 4.5 20.3 1.0
OG B:SER344 4.5 29.3 1.0
O F:GLY157 4.6 24.9 1.0
CD1 F:TYR311 4.7 26.7 1.0
O1B F:ADP600 4.7 26.0 1.0
CG2 B:ILE343 4.8 22.4 1.0
O3A F:ADP600 4.8 25.9 1.0
O F:HOH2130 4.9 26.1 1.0
C F:GLY157 4.9 23.9 1.0
CZ B:ARG373 4.9 31.1 1.0
O2B F:ADP600 5.0 26.9 1.0
NH1 B:ARG373 5.0 29.3 1.0

Reference:

R.I.Menz, J.E.Walker, A.G.W.Leslie. Structure of Bovine Mitochondrial F1-Atpase with Nucleotide Bound to All Three Catalytic Sites: Implications For the Mechanism of Rotary Catalysis Cell(Cambridge,Mass.) V. 106 331 2001.
ISSN: ISSN 0092-8674
PubMed: 11509182
DOI: 10.1016/S0092-8674(01)00452-4
Page generated: Wed Jul 31 11:30:38 2024

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