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Magnesium in PDB 1br4: Smooth Muscle Myosin Motor Domain-Essential Light Chain Complex with Mgadp.BEF3 Bound at the Active Site

Enzymatic activity of Smooth Muscle Myosin Motor Domain-Essential Light Chain Complex with Mgadp.BEF3 Bound at the Active Site

All present enzymatic activity of Smooth Muscle Myosin Motor Domain-Essential Light Chain Complex with Mgadp.BEF3 Bound at the Active Site:
3.6.1.32;

Protein crystallography data

The structure of Smooth Muscle Myosin Motor Domain-Essential Light Chain Complex with Mgadp.BEF3 Bound at the Active Site, PDB code: 1br4 was solved by R.Dominguez, K.M.Trybus, C.Cohen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 3.62
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 95.320, 144.660, 147.290, 111.21, 106.10, 92.58
R / Rfree (%) 27.7 / 35.2

Other elements in 1br4:

The structure of Smooth Muscle Myosin Motor Domain-Essential Light Chain Complex with Mgadp.BEF3 Bound at the Active Site also contains other interesting chemical elements:

Fluorine (F) 12 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Smooth Muscle Myosin Motor Domain-Essential Light Chain Complex with Mgadp.BEF3 Bound at the Active Site (pdb code 1br4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Smooth Muscle Myosin Motor Domain-Essential Light Chain Complex with Mgadp.BEF3 Bound at the Active Site, PDB code: 1br4:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 1br4

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Magnesium binding site 1 out of 4 in the Smooth Muscle Myosin Motor Domain-Essential Light Chain Complex with Mgadp.BEF3 Bound at the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Smooth Muscle Myosin Motor Domain-Essential Light Chain Complex with Mgadp.BEF3 Bound at the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg997

b:25.0
occ:1.00
 F3 A:BEF999 2.1 25.0 1.0
O2B A:ADP998 2.1 25.0 1.0
O A:HOH995 2.1 25.0 1.0
OG1 A:THR184 2.5 55.3 1.0
OG A:SER246 2.9 70.0 1.0
CB A:SER246 3.1 70.0 1.0
BE A:BEF999 3.4 25.0 1.0
PB A:ADP998 3.4 25.0 1.0
OD1 A:ASP465 3.5 0.0 1.0
O3B A:ADP998 3.6 25.0 1.0
CB A:THR184 3.7 55.3 1.0
N A:THR184 3.9 2.0 1.0
F1 A:BEF999 4.1 25.0 1.0
CB A:LYS183 4.1 2.0 1.0
N A:SER246 4.2 2.1 1.0
CA A:SER246 4.2 2.1 1.0
O2A A:ADP998 4.3 25.0 1.0
CA A:THR184 4.3 2.0 1.0
O1B A:ADP998 4.4 25.0 1.0
O3A A:ADP998 4.4 25.0 1.0
F2 A:BEF999 4.5 25.0 1.0
CG A:ASP465 4.6 0.0 1.0
O A:ILE466 4.7 2.0 1.0
PA A:ADP998 4.7 25.0 1.0
CE A:LYS183 4.8 2.0 1.0
O1A A:ADP998 4.8 25.0 1.0
CG2 A:THR184 4.8 55.3 1.0
C A:LYS183 4.9 2.0 1.0
OD2 A:ASP465 5.0 0.0 1.0

Magnesium binding site 2 out of 4 in 1br4

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Magnesium binding site 2 out of 4 in the Smooth Muscle Myosin Motor Domain-Essential Light Chain Complex with Mgadp.BEF3 Bound at the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Smooth Muscle Myosin Motor Domain-Essential Light Chain Complex with Mgadp.BEF3 Bound at the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg997

b:25.0
occ:1.00
 F3 C:BEF999 2.1 25.0 1.0
O2B C:ADP998 2.1 25.0 1.0
O C:HOH995 2.1 25.0 1.0
OG1 C:THR184 2.4 2.0 1.0
OG C:SER246 3.0 27.2 1.0
CB C:SER246 3.2 27.2 1.0
BE C:BEF999 3.4 25.0 1.0
PB C:ADP998 3.4 25.0 1.0
CB C:THR184 3.6 2.0 1.0
OD1 C:ASP465 3.6 98.8 1.0
O3B C:ADP998 3.6 25.0 1.0
N C:THR184 3.8 25.2 1.0
CB C:LYS183 4.1 8.6 1.0
F1 C:BEF999 4.1 25.0 1.0
CA C:THR184 4.2 25.2 1.0
N C:SER246 4.2 2.5 1.0
O2A C:ADP998 4.3 25.0 1.0
CA C:SER246 4.3 2.5 1.0
O1B C:ADP998 4.4 25.0 1.0
O3A C:ADP998 4.4 25.0 1.0
F2 C:BEF999 4.5 25.0 1.0
CG C:ASP465 4.7 98.8 1.0
PA C:ADP998 4.7 25.0 1.0
CG2 C:THR184 4.8 2.0 1.0
C C:LYS183 4.8 2.0 1.0
O C:ILE466 4.8 26.0 1.0
CE C:LYS183 4.8 8.6 1.0
O1A C:ADP998 4.8 25.0 1.0
CA C:LYS183 5.0 2.0 1.0

Magnesium binding site 3 out of 4 in 1br4

Go back to Magnesium Binding Sites List in 1br4
Magnesium binding site 3 out of 4 in the Smooth Muscle Myosin Motor Domain-Essential Light Chain Complex with Mgadp.BEF3 Bound at the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Smooth Muscle Myosin Motor Domain-Essential Light Chain Complex with Mgadp.BEF3 Bound at the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg997

b:25.0
occ:1.00
 F3 E:BEF999 2.1 25.0 1.0
O2B E:ADP998 2.1 25.0 1.0
O E:HOH995 2.1 25.0 1.0
OG1 E:THR184 2.4 50.5 1.0
OG E:SER246 3.0 25.7 1.0
CB E:SER246 3.2 25.7 1.0
BE E:BEF999 3.4 25.0 1.0
PB E:ADP998 3.4 25.0 1.0
OD1 E:ASP465 3.6 16.8 1.0
CB E:THR184 3.6 50.5 1.0
O3B E:ADP998 3.6 25.0 1.0
N E:THR184 3.8 5.7 1.0
CB E:LYS183 4.1 2.0 1.0
F1 E:BEF999 4.1 25.0 1.0
CA E:THR184 4.2 5.7 1.0
N E:SER246 4.2 2.0 1.0
O2A E:ADP998 4.3 25.0 1.0
CA E:SER246 4.3 2.0 1.0
O1B E:ADP998 4.4 25.0 1.0
O3A E:ADP998 4.4 25.0 1.0
F2 E:BEF999 4.5 25.0 1.0
CG E:ASP465 4.7 16.8 1.0
PA E:ADP998 4.7 25.0 1.0
CG2 E:THR184 4.8 50.5 1.0
C E:LYS183 4.8 2.3 1.0
CE E:LYS183 4.8 2.0 1.0
O E:ILE466 4.8 6.3 1.0
O1A E:ADP998 4.8 25.0 1.0
CA E:LYS183 5.0 2.3 1.0

Magnesium binding site 4 out of 4 in 1br4

Go back to Magnesium Binding Sites List in 1br4
Magnesium binding site 4 out of 4 in the Smooth Muscle Myosin Motor Domain-Essential Light Chain Complex with Mgadp.BEF3 Bound at the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Smooth Muscle Myosin Motor Domain-Essential Light Chain Complex with Mgadp.BEF3 Bound at the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mg997

b:25.0
occ:1.00
 F3 G:BEF999 2.1 25.0 1.0
O2B G:ADP998 2.1 25.0 1.0
O G:HOH995 2.1 25.0 1.0
OG1 G:THR184 2.4 92.2 1.0
OG G:SER246 3.0 59.4 1.0
CB G:SER246 3.2 59.4 1.0
BE G:BEF999 3.4 25.0 1.0
PB G:ADP998 3.4 25.0 1.0
OD1 G:ASP465 3.6 56.2 1.0
CB G:THR184 3.6 92.2 1.0
O3B G:ADP998 3.6 25.0 1.0
N G:THR184 3.8 2.4 1.0
CB G:LYS183 4.1 2.0 1.0
F1 G:BEF999 4.1 25.0 1.0
N G:SER246 4.2 2.0 1.0
CA G:THR184 4.2 2.4 1.0
O2A G:ADP998 4.3 25.0 1.0
CA G:SER246 4.3 2.0 1.0
O1B G:ADP998 4.4 25.0 1.0
O3A G:ADP998 4.4 25.0 1.0
F2 G:BEF999 4.5 25.0 1.0
CG G:ASP465 4.7 56.2 1.0
PA G:ADP998 4.7 25.0 1.0
CG2 G:THR184 4.8 92.2 1.0
O G:ILE466 4.8 12.0 1.0
C G:LYS183 4.8 35.4 1.0
CE G:LYS183 4.8 2.0 1.0
O1A G:ADP998 4.8 25.0 1.0
CA G:LYS183 5.0 35.4 1.0

Reference:

R.Dominguez, Y.Freyzon, K.M.Trybus, C.Cohen. Crystal Structure of A Vertebrate Smooth Muscle Myosin Motor Domain and Its Complex with the Essential Light Chain: Visualization of the Pre-Power Stroke State. Cell(Cambridge,Mass.) V. 94 559 1998.
ISSN: ISSN 0092-8674
PubMed: 9741621
DOI: 10.1016/S0092-8674(00)81598-6
Page generated: Tue Aug 13 02:14:39 2024

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