Magnesium in PDB 2buf: Arginine Feed-Back Inhibitable Acetylglutamate Kinase
Enzymatic activity of Arginine Feed-Back Inhibitable Acetylglutamate Kinase
All present enzymatic activity of Arginine Feed-Back Inhibitable Acetylglutamate Kinase:
2.7.2.8;
Protein crystallography data
The structure of Arginine Feed-Back Inhibitable Acetylglutamate Kinase, PDB code: 2buf
was solved by
S.Ramon-Maiques,
M.L.Fernandez-Murga,
A.Vagin,
I.Fita,
V.Rubio,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
18.00 /
2.95
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
71.860,
98.780,
162.900,
91.49,
92.03,
107.56
|
R / Rfree (%)
|
24.9 /
26.7
|
Other elements in 2buf:
The structure of Arginine Feed-Back Inhibitable Acetylglutamate Kinase also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Arginine Feed-Back Inhibitable Acetylglutamate Kinase
(pdb code 2buf). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the
Arginine Feed-Back Inhibitable Acetylglutamate Kinase, PDB code: 2buf:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Magnesium binding site 1 out
of 8 in 2buf
Go back to
Magnesium Binding Sites List in 2buf
Magnesium binding site 1 out
of 8 in the Arginine Feed-Back Inhibitable Acetylglutamate Kinase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Arginine Feed-Back Inhibitable Acetylglutamate Kinase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg1301
b:50.6
occ:1.00
|
O2A
|
B:ADP1300
|
2.4
|
63.9
|
1.0
|
O1B
|
B:ADP1300
|
2.5
|
70.9
|
1.0
|
PB
|
B:ADP1300
|
3.5
|
69.2
|
1.0
|
PA
|
B:ADP1300
|
3.6
|
64.5
|
1.0
|
O3A
|
B:ADP1300
|
3.6
|
68.0
|
1.0
|
ND2
|
B:ASN197
|
3.7
|
56.4
|
1.0
|
O3B
|
B:ADP1300
|
3.7
|
66.6
|
1.0
|
OD1
|
B:ASP199
|
3.8
|
58.3
|
1.0
|
OD1
|
B:ASN197
|
3.8
|
59.3
|
1.0
|
CG
|
B:ASN197
|
4.2
|
56.4
|
1.0
|
O
|
B:GLY251
|
4.2
|
62.0
|
1.0
|
CA
|
B:GLY251
|
4.4
|
59.9
|
1.0
|
OE1
|
B:NLG1302
|
4.5
|
57.1
|
1.0
|
O5'
|
B:ADP1300
|
4.6
|
64.6
|
1.0
|
CG
|
B:ASP199
|
4.6
|
55.8
|
1.0
|
O1A
|
B:ADP1300
|
4.6
|
62.2
|
1.0
|
NZ
|
B:LYS255
|
4.7
|
71.3
|
1.0
|
C
|
B:GLY251
|
4.7
|
59.8
|
1.0
|
NZ
|
B:LYS33
|
4.8
|
54.8
|
1.0
|
OE2
|
B:NLG1302
|
4.8
|
57.6
|
1.0
|
CE
|
B:LYS255
|
4.8
|
70.0
|
1.0
|
O2B
|
B:ADP1300
|
4.9
|
68.0
|
1.0
|
OD2
|
B:ASP199
|
5.0
|
56.7
|
1.0
|
CD
|
B:NLG1302
|
5.0
|
57.9
|
1.0
|
|
Magnesium binding site 2 out
of 8 in 2buf
Go back to
Magnesium Binding Sites List in 2buf
Magnesium binding site 2 out
of 8 in the Arginine Feed-Back Inhibitable Acetylglutamate Kinase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Arginine Feed-Back Inhibitable Acetylglutamate Kinase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg1301
b:0.7
occ:1.00
|
O2A
|
C:ADP1300
|
2.4
|
0.7
|
1.0
|
O3A
|
C:ADP1300
|
2.7
|
0.6
|
1.0
|
PA
|
C:ADP1300
|
2.8
|
0.6
|
1.0
|
O2B
|
C:ADP1300
|
3.0
|
0.8
|
1.0
|
O1A
|
C:ADP1300
|
3.2
|
0.2
|
1.0
|
PB
|
C:ADP1300
|
3.5
|
0.2
|
1.0
|
O3B
|
C:ADP1300
|
4.3
|
0.4
|
1.0
|
O5'
|
C:ADP1300
|
4.4
|
0.1
|
1.0
|
O1B
|
C:ADP1300
|
4.7
|
0.5
|
1.0
|
CA
|
C:GLY251
|
4.9
|
62.9
|
1.0
|
|
Magnesium binding site 3 out
of 8 in 2buf
Go back to
Magnesium Binding Sites List in 2buf
Magnesium binding site 3 out
of 8 in the Arginine Feed-Back Inhibitable Acetylglutamate Kinase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Arginine Feed-Back Inhibitable Acetylglutamate Kinase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg1301
b:57.0
occ:1.00
|
O3B
|
D:ADP1300
|
2.2
|
59.4
|
1.0
|
PB
|
D:ADP1300
|
3.1
|
57.9
|
1.0
|
O2A
|
D:ADP1300
|
3.1
|
58.2
|
1.0
|
O1B
|
D:ADP1300
|
3.1
|
58.8
|
1.0
|
O3A
|
D:ADP1300
|
3.2
|
55.1
|
1.0
|
PA
|
D:ADP1300
|
3.7
|
55.7
|
1.0
|
O2B
|
D:ADP1300
|
4.5
|
54.7
|
1.0
|
O1A
|
D:ADP1300
|
4.5
|
52.9
|
1.0
|
O5'
|
D:ADP1300
|
5.0
|
53.2
|
1.0
|
|
Magnesium binding site 4 out
of 8 in 2buf
Go back to
Magnesium Binding Sites List in 2buf
Magnesium binding site 4 out
of 8 in the Arginine Feed-Back Inhibitable Acetylglutamate Kinase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Arginine Feed-Back Inhibitable Acetylglutamate Kinase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg1300
b:69.8
occ:1.00
|
O3B
|
E:ADP1299
|
2.5
|
76.3
|
1.0
|
O2A
|
E:ADP1299
|
2.8
|
77.8
|
1.0
|
OD1
|
E:ASN197
|
3.4
|
69.7
|
1.0
|
OE1
|
E:NLG1301
|
3.4
|
82.3
|
1.0
|
PB
|
E:ADP1299
|
3.8
|
76.6
|
1.0
|
ND2
|
E:ASN197
|
3.9
|
71.9
|
1.0
|
PA
|
E:ADP1299
|
3.9
|
77.2
|
1.0
|
O3A
|
E:ADP1299
|
3.9
|
76.7
|
1.0
|
CG
|
E:ASN197
|
4.0
|
69.7
|
1.0
|
NZ
|
E:LYS33
|
4.2
|
75.2
|
1.0
|
CD
|
E:NLG1301
|
4.2
|
83.6
|
1.0
|
O1B
|
E:ADP1299
|
4.2
|
77.2
|
1.0
|
OD1
|
E:ASP199
|
4.3
|
71.4
|
1.0
|
OE2
|
E:NLG1301
|
4.3
|
83.4
|
1.0
|
CG
|
E:ASP199
|
4.6
|
69.3
|
1.0
|
O
|
E:GLY88
|
4.6
|
86.5
|
1.0
|
O
|
E:GLY251
|
4.7
|
72.1
|
1.0
|
CA
|
E:GLY251
|
4.7
|
73.8
|
1.0
|
O5'
|
E:ADP1299
|
4.8
|
74.7
|
1.0
|
NZ
|
E:LYS255
|
4.9
|
65.8
|
1.0
|
OD2
|
E:ASP199
|
4.9
|
69.3
|
1.0
|
|
Magnesium binding site 5 out
of 8 in 2buf
Go back to
Magnesium Binding Sites List in 2buf
Magnesium binding site 5 out
of 8 in the Arginine Feed-Back Inhibitable Acetylglutamate Kinase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Arginine Feed-Back Inhibitable Acetylglutamate Kinase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mg1300
b:85.7
occ:1.00
|
O1B
|
G:ADP1299
|
2.5
|
0.6
|
1.0
|
O3A
|
G:ADP1299
|
2.6
|
0.4
|
1.0
|
PB
|
G:ADP1299
|
2.9
|
0.8
|
1.0
|
O2A
|
G:ADP1299
|
3.1
|
0.1
|
1.0
|
O3B
|
G:ADP1299
|
3.2
|
0.9
|
1.0
|
PA
|
G:ADP1299
|
3.3
|
0.5
|
1.0
|
O1A
|
G:ADP1299
|
3.8
|
0.2
|
1.0
|
OD1
|
G:ASN37
|
4.0
|
0.3
|
1.0
|
ND2
|
G:ASN37
|
4.0
|
0.5
|
1.0
|
O2B
|
G:ADP1299
|
4.3
|
0.8
|
1.0
|
CG
|
G:ASN37
|
4.4
|
0.7
|
1.0
|
O5'
|
G:ADP1299
|
4.7
|
0.4
|
1.0
|
|
Magnesium binding site 6 out
of 8 in 2buf
Go back to
Magnesium Binding Sites List in 2buf
Magnesium binding site 6 out
of 8 in the Arginine Feed-Back Inhibitable Acetylglutamate Kinase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Arginine Feed-Back Inhibitable Acetylglutamate Kinase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Mg1298
b:94.3
occ:1.00
|
ND2
|
H:ASN37
|
2.5
|
0.9
|
1.0
|
O3A
|
H:ADP1297
|
2.6
|
0.0
|
0.5
|
O3B
|
H:ADP1297
|
2.7
|
0.9
|
0.5
|
CG
|
H:ASN37
|
3.2
|
0.2
|
1.0
|
PA
|
H:ADP1297
|
3.2
|
0.9
|
0.5
|
O1A
|
H:ADP1297
|
3.2
|
0.8
|
0.5
|
PB
|
H:ADP1297
|
3.3
|
0.1
|
0.5
|
O2A
|
H:ADP1297
|
3.4
|
0.0
|
0.5
|
OD1
|
H:ASN37
|
3.4
|
0.5
|
1.0
|
O1B
|
H:ADP1297
|
4.3
|
1.0
|
0.5
|
CB
|
H:ASN37
|
4.3
|
0.6
|
1.0
|
O2B
|
H:ADP1297
|
4.4
|
0.8
|
0.5
|
O5'
|
H:ADP1297
|
4.7
|
0.0
|
0.5
|
|
Magnesium binding site 7 out
of 8 in 2buf
Go back to
Magnesium Binding Sites List in 2buf
Magnesium binding site 7 out
of 8 in the Arginine Feed-Back Inhibitable Acetylglutamate Kinase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Arginine Feed-Back Inhibitable Acetylglutamate Kinase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mg1299
b:74.1
occ:1.00
|
O1B
|
I:ADP1298
|
2.4
|
84.0
|
1.0
|
O2A
|
I:ADP1298
|
3.0
|
72.3
|
1.0
|
OD2
|
I:ASP199
|
3.2
|
73.0
|
1.0
|
PB
|
I:ADP1298
|
3.8
|
82.6
|
1.0
|
O3A
|
I:ADP1298
|
3.9
|
76.4
|
1.0
|
OD1
|
I:ASN197
|
4.0
|
80.2
|
1.0
|
PA
|
I:ADP1298
|
4.0
|
74.3
|
1.0
|
NZ
|
I:LYS33
|
4.1
|
66.4
|
1.0
|
CG
|
I:ASP199
|
4.1
|
70.6
|
1.0
|
OE2
|
I:NLG1300
|
4.3
|
94.3
|
1.0
|
OE1
|
I:NLG1300
|
4.4
|
93.5
|
1.0
|
NZ
|
I:LYS255
|
4.4
|
65.1
|
1.0
|
O
|
I:GLY251
|
4.5
|
68.8
|
1.0
|
OD1
|
I:ASP199
|
4.5
|
69.6
|
1.0
|
ND2
|
I:ASN197
|
4.7
|
78.1
|
1.0
|
CD
|
I:NLG1300
|
4.7
|
93.2
|
1.0
|
O2B
|
I:ADP1298
|
4.7
|
82.5
|
1.0
|
O3B
|
I:ADP1298
|
4.7
|
83.4
|
1.0
|
CG
|
I:ASN197
|
4.7
|
78.4
|
1.0
|
|
Magnesium binding site 8 out
of 8 in 2buf
Go back to
Magnesium Binding Sites List in 2buf
Magnesium binding site 8 out
of 8 in the Arginine Feed-Back Inhibitable Acetylglutamate Kinase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Arginine Feed-Back Inhibitable Acetylglutamate Kinase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Mg1301
b:68.7
occ:1.00
|
O2A
|
L:ADP1300
|
2.3
|
90.0
|
1.0
|
O1B
|
L:ADP1300
|
3.2
|
90.9
|
1.0
|
ND2
|
L:ASN197
|
3.4
|
87.4
|
1.0
|
PA
|
L:ADP1300
|
3.5
|
88.3
|
1.0
|
O3A
|
L:ADP1300
|
3.7
|
90.1
|
1.0
|
OD2
|
L:ASP199
|
3.7
|
90.8
|
1.0
|
O3B
|
L:ADP1300
|
3.7
|
90.6
|
1.0
|
OD1
|
L:ASN197
|
3.8
|
87.4
|
1.0
|
PB
|
L:ADP1300
|
3.8
|
92.2
|
1.0
|
O
|
L:GLY251
|
3.8
|
78.1
|
1.0
|
OE1
|
L:NLG1302
|
4.0
|
0.7
|
1.0
|
CG
|
L:ASN197
|
4.0
|
87.4
|
1.0
|
NZ
|
L:LYS255
|
4.1
|
81.5
|
1.0
|
OE2
|
L:NLG1302
|
4.2
|
0.1
|
1.0
|
CA
|
L:GLY251
|
4.3
|
79.0
|
1.0
|
CD
|
L:NLG1302
|
4.3
|
0.3
|
1.0
|
O1A
|
L:ADP1300
|
4.5
|
89.0
|
1.0
|
O5'
|
L:ADP1300
|
4.5
|
86.3
|
1.0
|
C
|
L:GLY251
|
4.5
|
77.8
|
1.0
|
CG
|
L:ASP199
|
4.8
|
88.6
|
1.0
|
CE
|
L:LYS255
|
4.8
|
80.7
|
1.0
|
O
|
L:GLY88
|
5.0
|
0.4
|
1.0
|
|
Reference:
S.Ramon-Maiques,
M.L.Fernandez-Murga,
F.Gil-Ortiz,
A.Vagin,
I.Fita,
V.Rubio.
Structural Bases of Feed-Back Control of Arginine Biosynthesis, Revealed By the Structure of Two Hexameric N-Acetylglutamate Kinases, From Thermotoga Maritima and Pseudomonas Aeruginosa J.Mol.Biol. V. 356 695 2006.
ISSN: ISSN 0022-2836
PubMed: 16376937
DOI: 10.1016/J.JMB.2005.11.079
Page generated: Tue Aug 13 22:04:27 2024
|