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Magnesium in PDB 1e79: Bovine F1-Atpase Inhibited By Dccd (Dicyclohexylcarbodiimide)

Enzymatic activity of Bovine F1-Atpase Inhibited By Dccd (Dicyclohexylcarbodiimide)

All present enzymatic activity of Bovine F1-Atpase Inhibited By Dccd (Dicyclohexylcarbodiimide):
3.6.1.34;

Protein crystallography data

The structure of Bovine F1-Atpase Inhibited By Dccd (Dicyclohexylcarbodiimide), PDB code: 1e79 was solved by C.Gibbons, 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 / 2.4
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 267.200, 107.200, 135.900, 90.00, 90.00, 90.00
R / Rfree (%) 22.5 / 28.1

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Bovine F1-Atpase Inhibited By Dccd (Dicyclohexylcarbodiimide) (pdb code 1e79). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Bovine F1-Atpase Inhibited By Dccd (Dicyclohexylcarbodiimide), PDB code: 1e79:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 1e79

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Magnesium binding site 1 out of 5 in the Bovine F1-Atpase Inhibited By Dccd (Dicyclohexylcarbodiimide)


Mono view


Stereo pair view

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

b:44.7
occ:1.00
 O2G A:ATP600 2.1 53.5 1.0
O2B A:ATP600 2.1 45.2 1.0
OG1 A:THR176 2.1 40.4 1.0
O A:HOH2075 2.2 38.7 1.0
O A:HOH2163 2.2 35.1 1.0
CB A:THR176 3.2 40.0 1.0
PG A:ATP600 3.2 56.7 1.0
PB A:ATP600 3.3 46.0 1.0
O3B A:ATP600 3.6 50.0 1.0
O3G A:ATP600 3.7 56.2 1.0
N A:THR176 3.8 39.2 1.0
OD2 A:ASP269 4.0 33.5 1.0
CA A:THR176 4.1 39.2 1.0
O2A A:ATP600 4.1 42.6 1.0
OD1 A:ASP269 4.2 39.0 1.0
CG2 A:THR176 4.2 36.9 1.0
O3A A:ATP600 4.3 45.5 1.0
O1B A:ATP600 4.3 46.2 1.0
O1G A:ATP600 4.4 56.6 1.0
O A:HOH2076 4.5 46.3 1.0
CG A:ASP269 4.5 41.2 1.0
O A:HOH2022 4.5 42.5 1.0
PA A:ATP600 4.6 42.5 1.0
O1A A:ATP600 4.6 43.7 1.0
O A:HOH2110 4.7 30.1 1.0
O A:HOH2077 4.8 45.8 1.0
O A:HOH2160 4.9 67.6 1.0
C A:LYS175 5.0 40.3 1.0

Magnesium binding site 2 out of 5 in 1e79

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Magnesium binding site 2 out of 5 in the Bovine F1-Atpase Inhibited By Dccd (Dicyclohexylcarbodiimide)


Mono view


Stereo pair view

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

b:46.5
occ:1.00
 O B:HOH2049 2.1 53.9 1.0
O B:HOH2048 2.1 38.8 1.0
O B:HOH2134 2.1 39.5 1.0
O2B B:ADP600 2.1 45.7 1.0
OG1 B:THR176 2.1 45.5 1.0
O B:HOH2137 2.3 34.2 1.0
PB B:ADP600 3.2 44.4 1.0
CB B:THR176 3.3 46.7 1.0
O3B B:ADP600 3.3 44.1 1.0
N B:THR176 4.1 43.3 1.0
O2A B:ADP600 4.1 46.0 1.0
O1B B:ADP600 4.2 46.2 1.0
O3A B:ADP600 4.2 46.5 1.0
CA B:THR176 4.3 43.9 1.0
CG2 B:THR176 4.3 45.6 1.0
OD1 B:ASP269 4.3 44.6 1.0
OD2 B:ASP269 4.3 43.8 1.0
O B:HOH2105 4.4 42.2 1.0
O B:HOH2106 4.5 40.7 1.0
PA B:ADP600 4.6 46.7 1.0
CG B:ASP269 4.7 43.1 1.0
O B:HOH2072 4.7 35.2 1.0
NZ B:LYS175 4.7 39.4 1.0
O1A B:ADP600 4.8 47.4 1.0

Magnesium binding site 3 out of 5 in 1e79

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Magnesium binding site 3 out of 5 in the Bovine F1-Atpase Inhibited By Dccd (Dicyclohexylcarbodiimide)


Mono view


Stereo pair view

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

b:43.2
occ:1.00
 OG1 C:THR176 2.1 37.9 1.0
O2G C:ATP600 2.1 48.4 1.0
O C:HOH2162 2.1 42.0 1.0
O2B C:ATP600 2.1 42.7 1.0
O C:HOH2075 2.2 42.8 1.0
CB C:THR176 3.3 42.0 1.0
PG C:ATP600 3.3 52.2 1.0
PB C:ATP600 3.4 42.3 1.0
O3B C:ATP600 3.7 47.4 1.0
O3G C:ATP600 4.0 51.4 1.0
N C:THR176 4.0 40.7 1.0
OD2 C:ASP269 4.0 39.6 1.0
O C:HOH2076 4.1 49.0 1.0
OD1 C:ASP269 4.1 42.1 1.0
CA C:THR176 4.2 40.8 1.0
O C:HOH2060 4.2 60.5 1.0
O2A C:ATP600 4.2 36.5 1.0
CG2 C:THR176 4.3 41.8 1.0
O1B C:ATP600 4.3 43.6 1.0
O3A C:ATP600 4.5 41.7 1.0
O1G C:ATP600 4.5 51.4 1.0
CG C:ASP269 4.5 41.7 1.0
O C:HOH2079 4.5 61.9 1.0
PA C:ATP600 4.7 39.5 1.0
O1A C:ATP600 4.8 40.0 1.0
O C:HOH2103 5.0 29.4 1.0

Magnesium binding site 4 out of 5 in 1e79

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Magnesium binding site 4 out of 5 in the Bovine F1-Atpase Inhibited By Dccd (Dicyclohexylcarbodiimide)


Mono view


Stereo pair view

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

b:35.2
occ:1.00
 O D:HOH2148 2.1 31.4 1.0
O D:HOH2073 2.1 45.2 1.0
O D:HOH2147 2.1 34.1 1.0
OG1 D:THR163 2.2 37.6 1.0
O2B D:ADP600 2.2 37.6 1.0
CB D:THR163 3.2 37.5 1.0
NH1 D:ARG189 3.5 38.3 1.0
PB D:ADP600 3.5 37.5 1.0
O3B D:ADP600 3.9 37.4 1.0
OD2 D:ASP256 4.0 38.8 1.0
OE2 D:GLU192 4.0 36.4 1.0
OE1 D:GLU188 4.0 45.8 1.0
O D:HOH2056 4.1 33.2 1.0
CG2 D:THR163 4.1 41.0 1.0
OE1 D:GLU192 4.2 45.3 1.0
OD1 D:ASP256 4.2 40.3 1.0
N D:THR163 4.3 38.4 1.0
CA D:THR163 4.3 39.5 1.0
O2A D:ADP600 4.3 37.9 1.0
O D:HOH2055 4.4 37.2 1.0
O3A D:ADP600 4.4 39.0 1.0
NH1 C:ARG373 4.5 29.4 1.0
CD D:GLU192 4.5 42.3 1.0
O1B D:ADP600 4.5 37.5 1.0
CD D:GLU188 4.5 44.6 1.0
CG D:ASP256 4.5 42.4 1.0
PA D:ADP600 4.8 38.8 1.0
CZ D:ARG189 4.8 41.1 1.0
O1A D:ADP600 4.9 39.4 1.0
CE D:LYS162 4.9 30.6 1.0
O D:HOH2072 4.9 33.1 1.0

Magnesium binding site 5 out of 5 in 1e79

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Magnesium binding site 5 out of 5 in the Bovine F1-Atpase Inhibited By Dccd (Dicyclohexylcarbodiimide)


Mono view


Stereo pair view

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

b:34.7
occ:1.00
 OG1 F:THR163 2.1 32.5 1.0
O F:HOH2059 2.1 28.4 1.0
O F:HOH2162 2.1 33.1 1.0
O2B F:ADP600 2.1 41.5 1.0
O F:HOH2062 2.1 38.8 1.0
O F:HOH2086 2.1 28.0 1.0
PB F:ADP600 3.2 42.7 1.0
CB F:THR163 3.3 36.9 1.0
O3B F:ADP600 3.3 41.9 1.0
NH1 F:ARG189 3.8 28.9 1.0
N F:THR163 4.0 36.0 1.0
O3A F:ADP600 4.0 41.3 1.0
O2A F:ADP600 4.1 41.4 1.0
OE2 F:GLU192 4.2 42.8 1.0
CA F:THR163 4.2 35.6 1.0
CG2 F:THR163 4.3 28.7 1.0
O F:HOH2063 4.3 31.8 1.0
OE1 F:GLU188 4.3 48.8 1.0
O1A F:ADP600 4.3 41.0 1.0
PA F:ADP600 4.4 41.2 1.0
O1B F:ADP600 4.4 42.1 1.0
OE1 F:GLU192 4.4 43.9 1.0
OD2 F:ASP256 4.4 40.6 1.0
OD1 F:ASP256 4.5 38.6 1.0
O F:HOH2161 4.7 41.4 1.0
O F:HOH2163 4.7 33.9 1.0
CD F:GLU192 4.8 43.3 1.0
CG F:ASP256 4.9 40.7 1.0

Reference:

C.Gibbons, M.G.Montgomery, A.G.W.Leslie, J.E.Walker. The Structure of the Central Stalk in Bovine F(1)- Atpase at 2.4 A Resolution. Nat.Struct.Biol. V. 7 1055 2000.
ISSN: ISSN 1072-8368
PubMed: 11062563
DOI: 10.1038/80981
Page generated: Tue Aug 13 02:51:58 2024

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