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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:

Cobalt (Co) 2 atoms

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

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