Magnesium in PDB 6f5d: Trypanosoma Brucei F1-Atpase
Enzymatic activity of Trypanosoma Brucei F1-Atpase
All present enzymatic activity of Trypanosoma Brucei F1-Atpase:
3.6.3.14;
Protein crystallography data
The structure of Trypanosoma Brucei F1-Atpase, PDB code: 6f5d
was solved by
M.G.Montgomery,
O.Gahura,
A.G.W.Leslie,
A.Zikova,
J.E.Walker,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
90.51 /
3.20
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
124.218,
206.350,
130.210,
90.00,
104.85,
90.00
|
R / Rfree (%)
|
27.2 /
29.7
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Trypanosoma Brucei F1-Atpase
(pdb code 6f5d). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the
Trypanosoma Brucei F1-Atpase, PDB code: 6f5d:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
Magnesium binding site 1 out
of 5 in 6f5d
Go back to
Magnesium Binding Sites List in 6f5d
Magnesium binding site 1 out
of 5 in the Trypanosoma Brucei F1-Atpase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Trypanosoma Brucei F1-Atpase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg601
b:64.5
occ:1.00
|
OG1
|
A:THR189
|
2.2
|
66.5
|
1.0
|
O
|
A:HOH701
|
2.2
|
65.0
|
1.0
|
O
|
A:HOH702
|
2.2
|
63.3
|
1.0
|
O2B
|
A:ADP600
|
2.2
|
65.3
|
1.0
|
O
|
A:HOH704
|
2.2
|
64.1
|
1.0
|
O
|
A:HOH703
|
2.2
|
64.7
|
1.0
|
PB
|
A:ADP600
|
3.3
|
65.8
|
1.0
|
CB
|
A:THR189
|
3.4
|
68.6
|
1.0
|
O3B
|
A:ADP600
|
3.5
|
65.5
|
1.0
|
OD2
|
A:ASP282
|
3.8
|
73.2
|
1.0
|
OD1
|
A:ASP282
|
3.9
|
75.9
|
1.0
|
N
|
A:THR189
|
4.0
|
70.2
|
1.0
|
O2A
|
A:ADP600
|
4.1
|
65.1
|
1.0
|
CA
|
A:THR189
|
4.2
|
69.4
|
1.0
|
CG
|
A:ASP282
|
4.3
|
74.1
|
1.0
|
O1B
|
A:ADP600
|
4.3
|
66.2
|
1.0
|
O3A
|
A:ADP600
|
4.4
|
66.2
|
1.0
|
CG2
|
A:THR189
|
4.4
|
68.7
|
1.0
|
PA
|
A:ADP600
|
4.6
|
65.7
|
1.0
|
O1A
|
A:ADP600
|
4.8
|
65.1
|
1.0
|
OE1
|
A:GLN221
|
4.9
|
82.2
|
1.0
|
CB
|
A:LYS188
|
4.9
|
70.6
|
1.0
|
NZ
|
A:LYS188
|
5.0
|
70.4
|
1.0
|
|
Magnesium binding site 2 out
of 5 in 6f5d
Go back to
Magnesium Binding Sites List in 6f5d
Magnesium binding site 2 out
of 5 in the Trypanosoma Brucei F1-Atpase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Trypanosoma Brucei F1-Atpase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg601
b:52.1
occ:1.00
|
O
|
B:HOH703
|
2.2
|
52.9
|
1.0
|
O
|
B:HOH702
|
2.2
|
53.9
|
1.0
|
OG1
|
B:THR189
|
2.2
|
53.1
|
1.0
|
O
|
B:HOH701
|
2.2
|
52.7
|
1.0
|
O
|
B:HOH704
|
2.2
|
52.5
|
1.0
|
O2B
|
B:ADP600
|
2.2
|
52.9
|
1.0
|
PB
|
B:ADP600
|
3.1
|
54.6
|
1.0
|
O3B
|
B:ADP600
|
3.2
|
53.6
|
1.0
|
CB
|
B:THR189
|
3.4
|
53.6
|
1.0
|
OD1
|
B:ASP282
|
3.7
|
68.6
|
1.0
|
OD2
|
B:ASP282
|
3.8
|
69.2
|
1.0
|
N
|
B:THR189
|
3.9
|
55.8
|
1.0
|
O1B
|
B:ADP600
|
4.1
|
53.5
|
1.0
|
CA
|
B:THR189
|
4.2
|
54.6
|
1.0
|
CG
|
B:ASP282
|
4.2
|
67.5
|
1.0
|
O2A
|
B:ADP600
|
4.3
|
55.1
|
1.0
|
O3A
|
B:ADP600
|
4.4
|
55.3
|
1.0
|
CG2
|
B:THR189
|
4.5
|
53.0
|
1.0
|
NE2
|
B:GLN221
|
4.5
|
79.3
|
1.0
|
PA
|
B:ADP600
|
4.7
|
54.0
|
1.0
|
CB
|
B:LYS188
|
4.7
|
59.4
|
1.0
|
O1A
|
B:ADP600
|
4.8
|
54.4
|
1.0
|
NZ
|
B:LYS188
|
4.8
|
60.1
|
1.0
|
C
|
B:LYS188
|
4.9
|
57.6
|
1.0
|
|
Magnesium binding site 3 out
of 5 in 6f5d
Go back to
Magnesium Binding Sites List in 6f5d
Magnesium binding site 3 out
of 5 in the Trypanosoma Brucei F1-Atpase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Trypanosoma Brucei F1-Atpase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg601
b:54.2
occ:1.00
|
O
|
C:HOH703
|
2.2
|
53.4
|
1.0
|
O
|
C:HOH702
|
2.2
|
53.7
|
1.0
|
OG1
|
C:THR189
|
2.2
|
55.5
|
1.0
|
O
|
C:HOH701
|
2.2
|
54.0
|
1.0
|
O
|
C:HOH704
|
2.2
|
54.6
|
1.0
|
O2B
|
C:ADP600
|
2.2
|
55.5
|
1.0
|
PB
|
C:ADP600
|
3.2
|
55.8
|
1.0
|
O3B
|
C:ADP600
|
3.4
|
57.1
|
1.0
|
CB
|
C:THR189
|
3.4
|
57.2
|
1.0
|
OD1
|
C:ASP282
|
3.9
|
66.6
|
1.0
|
OD2
|
C:ASP282
|
3.9
|
66.6
|
1.0
|
O2A
|
C:ADP600
|
4.0
|
57.1
|
1.0
|
N
|
C:THR189
|
4.0
|
58.4
|
1.0
|
CA
|
C:THR189
|
4.2
|
57.8
|
1.0
|
O1B
|
C:ADP600
|
4.3
|
54.9
|
1.0
|
CG
|
C:ASP282
|
4.3
|
67.8
|
1.0
|
O3A
|
C:ADP600
|
4.4
|
57.3
|
1.0
|
CG2
|
C:THR189
|
4.5
|
57.8
|
1.0
|
PA
|
C:ADP600
|
4.6
|
58.6
|
1.0
|
CB
|
C:LYS188
|
4.8
|
64.8
|
1.0
|
NZ
|
C:LYS188
|
4.9
|
66.5
|
1.0
|
O1A
|
C:ADP600
|
4.9
|
58.3
|
1.0
|
C
|
C:LYS188
|
5.0
|
61.4
|
1.0
|
OE1
|
C:GLN221
|
5.0
|
82.9
|
1.0
|
|
Magnesium binding site 4 out
of 5 in 6f5d
Go back to
Magnesium Binding Sites List in 6f5d
Magnesium binding site 4 out
of 5 in the Trypanosoma Brucei F1-Atpase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Trypanosoma Brucei F1-Atpase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg601
b:65.6
occ:1.00
|
O
|
D:HOH704
|
2.2
|
67.4
|
1.0
|
O2B
|
D:ADP600
|
2.2
|
66.5
|
1.0
|
O
|
D:HOH701
|
2.2
|
66.6
|
1.0
|
O
|
D:HOH702
|
2.2
|
67.4
|
1.0
|
O
|
D:HOH703
|
2.2
|
63.1
|
1.0
|
OG1
|
D:THR169
|
2.2
|
66.5
|
1.0
|
PB
|
D:ADP600
|
3.3
|
67.2
|
1.0
|
CB
|
D:THR169
|
3.4
|
69.0
|
1.0
|
O3B
|
D:ADP600
|
3.5
|
66.0
|
1.0
|
NH1
|
D:ARG195
|
3.8
|
98.1
|
1.0
|
O3A
|
D:ADP600
|
3.9
|
66.7
|
1.0
|
NH1
|
C:ARG386
|
4.1
|
79.8
|
1.0
|
N
|
D:THR169
|
4.1
|
70.7
|
1.0
|
OE2
|
D:GLU198
|
4.2
|
93.0
|
1.0
|
OE1
|
D:GLU194
|
4.2
|
0.6
|
1.0
|
OE1
|
D:GLU198
|
4.3
|
92.1
|
1.0
|
OE2
|
D:GLU194
|
4.3
|
0.2
|
1.0
|
CA
|
D:THR169
|
4.3
|
69.9
|
1.0
|
O2A
|
D:ADP600
|
4.3
|
65.4
|
1.0
|
CG2
|
D:THR169
|
4.4
|
69.5
|
1.0
|
OD1
|
D:ASP261
|
4.4
|
83.1
|
1.0
|
CD
|
D:GLU194
|
4.4
|
1.0
|
1.0
|
OD2
|
D:ASP261
|
4.4
|
79.4
|
1.0
|
PA
|
D:ADP600
|
4.4
|
65.0
|
1.0
|
CE
|
D:LYS168
|
4.5
|
70.8
|
1.0
|
O1A
|
D:ADP600
|
4.5
|
63.9
|
1.0
|
O1B
|
D:ADP600
|
4.6
|
67.8
|
1.0
|
CD
|
D:GLU198
|
4.7
|
92.8
|
1.0
|
CG
|
D:ASP261
|
4.9
|
79.8
|
1.0
|
CB
|
D:LYS168
|
4.9
|
72.4
|
1.0
|
CZ
|
D:ARG195
|
5.0
|
98.0
|
1.0
|
|
Magnesium binding site 5 out
of 5 in 6f5d
Go back to
Magnesium Binding Sites List in 6f5d
Magnesium binding site 5 out
of 5 in the Trypanosoma Brucei F1-Atpase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Trypanosoma Brucei F1-Atpase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg601
b:73.1
occ:1.00
|
O2B
|
F:ADP600
|
2.2
|
68.3
|
1.0
|
O
|
F:HOH701
|
2.2
|
74.2
|
1.0
|
O
|
F:HOH703
|
2.2
|
71.9
|
1.0
|
O
|
F:HOH704
|
2.2
|
72.8
|
1.0
|
O
|
F:HOH702
|
2.2
|
72.0
|
1.0
|
OG1
|
F:THR169
|
2.2
|
73.2
|
1.0
|
PB
|
F:ADP600
|
3.4
|
63.9
|
1.0
|
CB
|
F:THR169
|
3.4
|
74.7
|
1.0
|
OE2
|
F:GLU194
|
3.8
|
77.3
|
1.0
|
O3B
|
F:ADP600
|
3.8
|
64.3
|
1.0
|
NH1
|
F:ARG195
|
3.9
|
57.5
|
1.0
|
O3A
|
F:ADP600
|
3.9
|
65.1
|
1.0
|
N
|
F:THR169
|
4.1
|
73.4
|
1.0
|
OE1
|
F:GLU198
|
4.2
|
88.3
|
1.0
|
OD2
|
F:ASP261
|
4.2
|
69.6
|
1.0
|
OD1
|
F:ASP261
|
4.3
|
71.0
|
1.0
|
CD
|
F:GLU194
|
4.3
|
76.7
|
1.0
|
CA
|
F:THR169
|
4.3
|
74.6
|
1.0
|
OE2
|
F:GLU198
|
4.4
|
88.1
|
1.0
|
CG2
|
F:THR169
|
4.4
|
75.2
|
1.0
|
O2A
|
F:ADP600
|
4.5
|
63.6
|
1.0
|
OE1
|
F:GLU194
|
4.5
|
78.7
|
1.0
|
PA
|
F:ADP600
|
4.6
|
64.0
|
1.0
|
CE
|
F:LYS168
|
4.7
|
73.5
|
1.0
|
O1A
|
F:ADP600
|
4.7
|
64.5
|
1.0
|
O1B
|
F:ADP600
|
4.7
|
63.2
|
1.0
|
CG
|
F:ASP261
|
4.7
|
69.3
|
1.0
|
CD
|
F:GLU198
|
4.8
|
87.0
|
1.0
|
CB
|
F:LYS168
|
4.9
|
71.1
|
1.0
|
|
Reference:
M.G.Montgomery,
O.Gahura,
A.G.W.Leslie,
A.Zikova,
J.E.Walker.
Atp Synthase Fromtrypanosoma Bruceihas An Elaborated Canonical F1-Domain and Conventional Catalytic Sites. Proc. Natl. Acad. Sci. V. 115 2102 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29440423
DOI: 10.1073/PNAS.1720940115
Page generated: Tue Oct 1 00:07:02 2024
|