Magnesium in PDB 4xc6: Isobutyryl-Coa Mutase Fused with Bound Adenosylcobalamin, Gdp, and Mg (Holo-Icmf/Gdp)
Enzymatic activity of Isobutyryl-Coa Mutase Fused with Bound Adenosylcobalamin, Gdp, and Mg (Holo-Icmf/Gdp)
All present enzymatic activity of Isobutyryl-Coa Mutase Fused with Bound Adenosylcobalamin, Gdp, and Mg (Holo-Icmf/Gdp):
5.4.99.13;
Protein crystallography data
The structure of Isobutyryl-Coa Mutase Fused with Bound Adenosylcobalamin, Gdp, and Mg (Holo-Icmf/Gdp), PDB code: 4xc6
was solved by
M.Jost,
C.L.Drennan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.69 /
3.35
|
Space group
|
H 3 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
318.760,
318.760,
343.520,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
18 /
19.8
|
Other elements in 4xc6:
The structure of Isobutyryl-Coa Mutase Fused with Bound Adenosylcobalamin, Gdp, and Mg (Holo-Icmf/Gdp) also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Isobutyryl-Coa Mutase Fused with Bound Adenosylcobalamin, Gdp, and Mg (Holo-Icmf/Gdp)
(pdb code 4xc6). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
Isobutyryl-Coa Mutase Fused with Bound Adenosylcobalamin, Gdp, and Mg (Holo-Icmf/Gdp), PDB code: 4xc6:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 4xc6
Go back to
Magnesium Binding Sites List in 4xc6
Magnesium binding site 1 out
of 4 in the Isobutyryl-Coa Mutase Fused with Bound Adenosylcobalamin, Gdp, and Mg (Holo-Icmf/Gdp)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Isobutyryl-Coa Mutase Fused with Bound Adenosylcobalamin, Gdp, and Mg (Holo-Icmf/Gdp) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg1104
b:60.2
occ:1.00
|
OD1
|
A:ASP262
|
2.1
|
1.0
|
1.0
|
O3B
|
A:GDP1103
|
2.1
|
87.5
|
1.0
|
OG
|
A:SER223
|
2.3
|
61.6
|
1.0
|
OE2
|
A:GLU310
|
2.6
|
80.5
|
1.0
|
O2B
|
A:GDP1103
|
2.7
|
84.0
|
1.0
|
PB
|
A:GDP1103
|
2.9
|
84.1
|
1.0
|
MG
|
A:MG1105
|
3.0
|
73.3
|
1.0
|
CG
|
A:ASP262
|
3.2
|
0.8
|
1.0
|
CB
|
A:SER223
|
3.4
|
63.2
|
1.0
|
CD
|
A:GLU310
|
3.8
|
81.2
|
1.0
|
O1A
|
A:GDP1103
|
3.8
|
71.5
|
1.0
|
OD2
|
A:ASP262
|
3.9
|
0.9
|
1.0
|
O1B
|
A:GDP1103
|
3.9
|
82.8
|
1.0
|
N
|
A:SER223
|
4.0
|
74.4
|
1.0
|
O3A
|
A:GDP1103
|
4.1
|
65.8
|
1.0
|
OE1
|
A:GLU310
|
4.2
|
80.2
|
1.0
|
CB
|
A:ASP262
|
4.3
|
0.3
|
1.0
|
OD1
|
A:ASP249
|
4.3
|
0.1
|
1.0
|
CA
|
A:SER223
|
4.3
|
68.5
|
1.0
|
O
|
A:GLY261
|
4.3
|
94.2
|
1.0
|
PA
|
A:GDP1103
|
4.4
|
71.7
|
1.0
|
CA
|
A:ASP262
|
4.5
|
96.8
|
1.0
|
O2A
|
A:GDP1103
|
4.6
|
70.8
|
1.0
|
NZ
|
A:LYS222
|
4.9
|
86.1
|
1.0
|
CE
|
A:LYS222
|
5.0
|
85.3
|
1.0
|
CB
|
A:LYS222
|
5.0
|
74.5
|
1.0
|
CG
|
A:GLU310
|
5.0
|
82.0
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 4xc6
Go back to
Magnesium Binding Sites List in 4xc6
Magnesium binding site 2 out
of 4 in the Isobutyryl-Coa Mutase Fused with Bound Adenosylcobalamin, Gdp, and Mg (Holo-Icmf/Gdp)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Isobutyryl-Coa Mutase Fused with Bound Adenosylcobalamin, Gdp, and Mg (Holo-Icmf/Gdp) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg1105
b:73.3
occ:1.00
|
OD1
|
A:ASP249
|
2.5
|
0.1
|
1.0
|
OE2
|
A:GLU310
|
2.7
|
80.5
|
1.0
|
OD2
|
A:ASP262
|
2.9
|
0.9
|
1.0
|
MG
|
A:MG1104
|
3.0
|
60.2
|
1.0
|
OD1
|
A:ASP262
|
3.0
|
1.0
|
1.0
|
O
|
A:THR311
|
3.1
|
0.6
|
1.0
|
O
|
A:ILE248
|
3.2
|
95.0
|
1.0
|
CG
|
A:ASP262
|
3.3
|
0.8
|
1.0
|
CD
|
A:GLU310
|
3.5
|
81.2
|
1.0
|
CG
|
A:ASP249
|
3.7
|
0.3
|
1.0
|
CG
|
A:GLU310
|
3.9
|
82.0
|
1.0
|
CA
|
A:SER312
|
4.0
|
0.5
|
1.0
|
C
|
A:THR311
|
4.1
|
0.3
|
1.0
|
CE
|
A:LYS222
|
4.1
|
85.3
|
1.0
|
C
|
A:ILE248
|
4.2
|
93.4
|
1.0
|
OG
|
A:SER223
|
4.3
|
61.6
|
1.0
|
O3B
|
A:GDP1103
|
4.4
|
87.5
|
1.0
|
OE1
|
A:GLU310
|
4.4
|
80.2
|
1.0
|
OD2
|
A:ASP249
|
4.4
|
99.1
|
1.0
|
N
|
A:SER312
|
4.5
|
0.4
|
1.0
|
NZ
|
A:LYS222
|
4.6
|
86.1
|
1.0
|
CA
|
A:ASP249
|
4.6
|
98.0
|
1.0
|
CB
|
A:ASP249
|
4.7
|
98.2
|
1.0
|
O2B
|
A:GDP1103
|
4.7
|
84.0
|
1.0
|
C
|
A:SER312
|
4.7
|
0.3
|
1.0
|
CB
|
A:ASP262
|
4.8
|
0.3
|
1.0
|
N
|
A:ASP249
|
4.8
|
96.3
|
1.0
|
N
|
A:GLY313
|
5.0
|
0.6
|
1.0
|
CB
|
A:SER312
|
5.0
|
0.7
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 4xc6
Go back to
Magnesium Binding Sites List in 4xc6
Magnesium binding site 3 out
of 4 in the Isobutyryl-Coa Mutase Fused with Bound Adenosylcobalamin, Gdp, and Mg (Holo-Icmf/Gdp)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Isobutyryl-Coa Mutase Fused with Bound Adenosylcobalamin, Gdp, and Mg (Holo-Icmf/Gdp) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg1103
b:39.1
occ:1.00
|
O3B
|
B:GDP1102
|
2.1
|
67.7
|
1.0
|
OD1
|
B:ASP262
|
2.1
|
85.9
|
1.0
|
OG
|
B:SER223
|
2.2
|
58.4
|
1.0
|
OE2
|
B:GLU310
|
2.6
|
58.8
|
1.0
|
O2B
|
B:GDP1102
|
2.7
|
71.3
|
1.0
|
PB
|
B:GDP1102
|
2.9
|
69.0
|
1.0
|
CG
|
B:ASP262
|
3.2
|
80.8
|
1.0
|
MG
|
B:MG1104
|
3.3
|
38.1
|
1.0
|
CB
|
B:SER223
|
3.4
|
62.2
|
1.0
|
CD
|
B:GLU310
|
3.8
|
63.9
|
1.0
|
O2A
|
B:GDP1102
|
3.8
|
72.3
|
1.0
|
OD2
|
B:ASP262
|
3.9
|
82.2
|
1.0
|
O1B
|
B:GDP1102
|
3.9
|
65.2
|
1.0
|
N
|
B:SER223
|
4.0
|
67.5
|
1.0
|
O3A
|
B:GDP1102
|
4.1
|
76.6
|
1.0
|
OE1
|
B:GLU310
|
4.2
|
73.1
|
1.0
|
CA
|
B:SER223
|
4.3
|
66.0
|
1.0
|
CB
|
B:ASP262
|
4.3
|
75.5
|
1.0
|
OD1
|
B:ASP249
|
4.3
|
73.4
|
1.0
|
PA
|
B:GDP1102
|
4.4
|
76.1
|
1.0
|
O
|
B:GLY261
|
4.4
|
76.5
|
1.0
|
CA
|
B:ASP262
|
4.5
|
73.0
|
1.0
|
O1A
|
B:GDP1102
|
4.6
|
80.0
|
1.0
|
NZ
|
B:LYS222
|
4.9
|
64.2
|
1.0
|
CB
|
B:LYS222
|
4.9
|
61.5
|
1.0
|
CE
|
B:LYS222
|
5.0
|
61.6
|
1.0
|
CG
|
B:GLU310
|
5.0
|
60.6
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 4xc6
Go back to
Magnesium Binding Sites List in 4xc6
Magnesium binding site 4 out
of 4 in the Isobutyryl-Coa Mutase Fused with Bound Adenosylcobalamin, Gdp, and Mg (Holo-Icmf/Gdp)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Isobutyryl-Coa Mutase Fused with Bound Adenosylcobalamin, Gdp, and Mg (Holo-Icmf/Gdp) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg1104
b:38.1
occ:1.00
|
OD2
|
B:ASP262
|
2.5
|
82.2
|
1.0
|
OE2
|
B:GLU310
|
2.6
|
58.8
|
1.0
|
OD1
|
B:ASP249
|
2.6
|
73.4
|
1.0
|
O
|
B:ILE248
|
2.8
|
67.0
|
1.0
|
O
|
B:THR311
|
2.9
|
68.4
|
1.0
|
OD1
|
B:ASP262
|
3.1
|
85.9
|
1.0
|
CG
|
B:ASP262
|
3.1
|
80.8
|
1.0
|
CD
|
B:GLU310
|
3.2
|
63.9
|
1.0
|
MG
|
B:MG1103
|
3.3
|
39.1
|
1.0
|
CG
|
B:GLU310
|
3.5
|
60.6
|
1.0
|
CG
|
B:ASP249
|
3.8
|
79.5
|
1.0
|
C
|
B:ILE248
|
3.8
|
67.5
|
1.0
|
C
|
B:THR311
|
3.8
|
67.5
|
1.0
|
CA
|
B:SER312
|
4.1
|
61.5
|
1.0
|
OE1
|
B:GLU310
|
4.1
|
73.1
|
1.0
|
N
|
B:SER312
|
4.3
|
59.9
|
1.0
|
CE
|
B:LYS222
|
4.4
|
61.6
|
1.0
|
OG
|
B:SER223
|
4.4
|
58.4
|
1.0
|
CA
|
B:ASP249
|
4.5
|
65.0
|
1.0
|
N
|
B:ILE248
|
4.5
|
61.0
|
1.0
|
N
|
B:ASP249
|
4.5
|
66.4
|
1.0
|
CB
|
B:ASP262
|
4.6
|
75.5
|
1.0
|
OD2
|
B:ASP249
|
4.6
|
88.4
|
1.0
|
CB
|
B:ASP249
|
4.6
|
73.2
|
1.0
|
O
|
B:GLU310
|
4.6
|
71.5
|
1.0
|
CB
|
B:GLU310
|
4.7
|
58.7
|
1.0
|
O3B
|
B:GDP1102
|
4.7
|
67.7
|
1.0
|
CA
|
B:ILE248
|
4.8
|
60.2
|
1.0
|
C
|
B:GLU310
|
4.8
|
67.8
|
1.0
|
C
|
B:SER312
|
4.9
|
62.5
|
1.0
|
NZ
|
B:LYS222
|
5.0
|
64.2
|
1.0
|
CA
|
B:THR311
|
5.0
|
66.2
|
1.0
|
|
Reference:
M.Jost,
V.Cracan,
P.A.Hubbard,
R.Banerjee,
C.L.Drennan.
Visualization of A Radical B12 Enzyme with Its G-Protein Chaperone Proc.Natl.Acad.Sci.Usa 2015.
ISSN: ESSN 1091-6490
Page generated: Tue Aug 20 15:24:53 2024
|