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Magnesium in PDB 1br2: Smooth Muscle Myosin Motor Domain Complexed with Mgadp.ALF4

Enzymatic activity of Smooth Muscle Myosin Motor Domain Complexed with Mgadp.ALF4

All present enzymatic activity of Smooth Muscle Myosin Motor Domain Complexed with Mgadp.ALF4:
3.6.1.32;

Protein crystallography data

The structure of Smooth Muscle Myosin Motor Domain Complexed with Mgadp.ALF4, PDB code: 1br2 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 / 2.90
Space group P 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 134.010, 107.670, 188.310, 90.00, 90.66, 90.00
R / Rfree (%) 23.2 / 29.1

Other elements in 1br2:

The structure of Smooth Muscle Myosin Motor Domain Complexed with Mgadp.ALF4 also contains other interesting chemical elements:

Fluorine (F) 24 atoms
Aluminium (Al) 6 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Smooth Muscle Myosin Motor Domain Complexed with Mgadp.ALF4 (pdb code 1br2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Smooth Muscle Myosin Motor Domain Complexed with Mgadp.ALF4, PDB code: 1br2:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 1br2

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Magnesium binding site 1 out of 6 in the Smooth Muscle Myosin Motor Domain Complexed with Mgadp.ALF4


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 Complexed with Mgadp.ALF4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg997

b:25.0
occ:1.00
 O A:HOH995 1.8 25.0 1.0
OG1 A:THR184 2.0 29.9 1.0
O2B A:ADP998 2.0 25.0 1.0
F4 A:ALF999 2.1 25.0 1.0
OG A:SER246 2.4 19.5 1.0
F2 A:ALF999 3.0 25.0 1.0
CB A:THR184 3.2 29.9 1.0
PB A:ADP998 3.2 25.0 1.0
O3B A:ADP998 3.3 25.0 1.0
CB A:SER246 3.3 19.5 1.0
AL A:ALF999 3.4 25.0 1.0
OD1 A:ASP465 3.4 65.4 1.0
OD2 A:ASP465 3.7 65.4 1.0
N A:THR184 3.9 26.0 1.0
CG A:ASP465 4.0 65.4 1.0
CA A:THR184 4.1 26.0 1.0
N A:SER246 4.1 10.2 1.0
O2A A:ADP998 4.2 25.0 1.0
O3A A:ADP998 4.2 25.0 1.0
CG2 A:THR184 4.2 29.9 1.0
O1B A:ADP998 4.3 25.0 1.0
CA A:SER246 4.3 10.2 1.0
PA A:ADP998 4.6 25.0 1.0
F1 A:ALF999 4.6 25.0 1.0
O1A A:ADP998 4.6 25.0 1.0
CB A:LYS183 4.9 31.9 1.0
O A:ASN244 4.9 31.4 1.0
C A:LYS183 5.0 2.0 1.0
O A:ILE466 5.0 13.6 1.0

Magnesium binding site 2 out of 6 in 1br2

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Magnesium binding site 2 out of 6 in the Smooth Muscle Myosin Motor Domain Complexed with Mgadp.ALF4


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 Complexed with Mgadp.ALF4 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg997

b:25.0
occ:1.00
 O B:HOH995 1.8 25.0 1.0
O2B B:ADP998 2.0 25.0 1.0
F4 B:ALF999 2.1 25.0 1.0
OG1 B:THR184 2.2 19.6 1.0
OG B:SER246 2.5 33.2 1.0
F2 B:ALF999 3.0 25.0 1.0
PB B:ADP998 3.2 25.0 1.0
CB B:SER246 3.3 33.2 1.0
O3B B:ADP998 3.3 25.0 1.0
CB B:THR184 3.4 19.6 1.0
OD1 B:ASP465 3.4 0.0 1.0
AL B:ALF999 3.4 25.0 1.0
OD2 B:ASP465 3.8 0.0 1.0
CG B:ASP465 4.0 0.0 1.0
N B:SER246 4.0 9.9 1.0
N B:THR184 4.0 14.6 1.0
O2A B:ADP998 4.2 25.0 1.0
O3A B:ADP998 4.2 25.0 1.0
CA B:THR184 4.2 14.6 1.0
CA B:SER246 4.3 9.9 1.0
O1B B:ADP998 4.3 25.0 1.0
CG2 B:THR184 4.4 19.6 1.0
PA B:ADP998 4.6 25.0 1.0
F1 B:ALF999 4.6 25.0 1.0
O1A B:ADP998 4.6 25.0 1.0
CB B:LYS183 4.8 4.9 1.0
O B:ILE466 4.9 30.3 1.0
O B:ASN244 5.0 39.5 1.0

Magnesium binding site 3 out of 6 in 1br2

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Magnesium binding site 3 out of 6 in the Smooth Muscle Myosin Motor Domain Complexed with Mgadp.ALF4


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 Complexed with Mgadp.ALF4 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg997

b:25.0
occ:1.00
 O C:HOH995 1.8 25.0 1.0
O2B C:ADP998 2.0 25.0 1.0
OG1 C:THR184 2.1 4.8 1.0
F4 C:ALF999 2.1 25.0 1.0
OG C:SER246 2.4 43.8 1.0
F2 C:ALF999 3.0 25.0 1.0
PB C:ADP998 3.2 25.0 1.0
CB C:THR184 3.2 4.8 1.0
O3B C:ADP998 3.3 25.0 1.0
CB C:SER246 3.3 43.8 1.0
AL C:ALF999 3.4 25.0 1.0
OD1 C:ASP465 3.6 88.3 1.0
OD2 C:ASP465 3.8 88.3 1.0
N C:SER246 4.0 37.5 1.0
N C:THR184 4.0 2.0 1.0
CG C:ASP465 4.1 88.3 1.0
CA C:THR184 4.1 2.0 1.0
O2A C:ADP998 4.2 25.0 1.0
O3A C:ADP998 4.2 25.0 1.0
CG2 C:THR184 4.3 4.8 1.0
CA C:SER246 4.3 37.5 1.0
O1B C:ADP998 4.3 25.0 1.0
PA C:ADP998 4.6 25.0 1.0
F1 C:ALF999 4.6 25.0 1.0
O1A C:ADP998 4.6 25.0 1.0
O C:ASN244 4.8 38.3 1.0
CB C:LYS183 4.9 4.0 1.0

Magnesium binding site 4 out of 6 in 1br2

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Magnesium binding site 4 out of 6 in the Smooth Muscle Myosin Motor Domain Complexed with Mgadp.ALF4


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 Complexed with Mgadp.ALF4 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg997

b:25.0
occ:1.00
 O D:HOH995 1.8 25.0 1.0
O2B D:ADP998 2.0 25.0 1.0
F4 D:ALF999 2.1 25.0 1.0
OG1 D:THR184 2.2 34.5 1.0
OG D:SER246 2.4 19.1 1.0
F2 D:ALF999 3.0 25.0 1.0
PB D:ADP998 3.2 25.0 1.0
CB D:SER246 3.2 19.1 1.0
O3B D:ADP998 3.3 25.0 1.0
CB D:THR184 3.3 34.5 1.0
OD1 D:ASP465 3.4 91.4 1.0
AL D:ALF999 3.4 25.0 1.0
OD2 D:ASP465 3.7 91.4 1.0
CG D:ASP465 4.0 91.4 1.0
N D:SER246 4.0 2.0 1.0
N D:THR184 4.0 14.8 1.0
O2A D:ADP998 4.2 25.0 1.0
O3A D:ADP998 4.2 25.0 1.0
CA D:THR184 4.2 14.8 1.0
CA D:SER246 4.2 2.0 1.0
O1B D:ADP998 4.3 25.0 1.0
CG2 D:THR184 4.4 34.5 1.0
PA D:ADP998 4.6 25.0 1.0
F1 D:ALF999 4.6 25.0 1.0
O1A D:ADP998 4.6 25.0 1.0
CB D:LYS183 4.8 15.0 1.0
O D:ILE466 4.9 17.6 1.0
O D:ASN244 5.0 22.8 1.0

Magnesium binding site 5 out of 6 in 1br2

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Magnesium binding site 5 out of 6 in the Smooth Muscle Myosin Motor Domain Complexed with Mgadp.ALF4


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Smooth Muscle Myosin Motor Domain Complexed with Mgadp.ALF4 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg997

b:25.0
occ:1.00
 O E:HOH995 2.1 25.0 1.0
OG1 E:THR184 2.1 16.6 1.0
F4 E:ALF999 2.2 25.0 1.0
O2B E:ADP998 2.2 25.0 1.0
OG E:SER246 2.4 34.7 1.0
F2 E:ALF999 3.1 25.0 1.0
CB E:SER246 3.2 34.7 1.0
CB E:THR184 3.3 16.6 1.0
OD1 E:ASP465 3.3 94.5 1.0
PB E:ADP998 3.5 25.0 1.0
AL E:ALF999 3.5 25.0 1.0
OD2 E:ASP465 3.6 94.5 1.0
O3B E:ADP998 3.6 25.0 1.0
CG E:ASP465 3.9 94.5 1.0
N E:SER246 4.0 7.2 1.0
N E:THR184 4.0 3.5 1.0
CA E:THR184 4.2 3.5 1.0
CA E:SER246 4.2 7.2 1.0
O2A E:ADP998 4.3 25.0 1.0
CG2 E:THR184 4.3 16.6 1.0
O1B E:ADP998 4.4 25.0 1.0
O3A E:ADP998 4.4 25.0 1.0
F1 E:ALF999 4.6 25.0 1.0
PA E:ADP998 4.8 25.0 1.0
O1A E:ADP998 4.8 25.0 1.0
O E:ILE466 4.9 5.3 1.0
CB E:LYS183 4.9 8.3 1.0

Magnesium binding site 6 out of 6 in 1br2

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Magnesium binding site 6 out of 6 in the Smooth Muscle Myosin Motor Domain Complexed with Mgadp.ALF4


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Smooth Muscle Myosin Motor Domain Complexed with Mgadp.ALF4 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg997

b:25.0
occ:1.00
 OG1 F:THR184 2.1 7.8 1.0
O F:HOH995 2.1 25.0 1.0
F4 F:ALF999 2.2 25.0 1.0
O2B F:ADP998 2.2 25.0 1.0
OG F:SER246 2.4 29.6 1.0
F2 F:ALF999 3.1 25.0 1.0
CB F:SER246 3.2 29.6 1.0
CB F:THR184 3.3 7.8 1.0
OD1 F:ASP465 3.3 60.3 1.0
PB F:ADP998 3.4 25.0 1.0
O3B F:ADP998 3.5 25.0 1.0
AL F:ALF999 3.6 25.0 1.0
OD2 F:ASP465 3.6 60.3 1.0
CG F:ASP465 3.9 60.3 1.0
N F:THR184 4.0 7.9 1.0
N F:SER246 4.0 6.1 1.0
CA F:THR184 4.2 7.9 1.0
O2A F:ADP998 4.2 25.0 1.0
CA F:SER246 4.2 6.1 1.0
CG2 F:THR184 4.3 7.8 1.0
O1B F:ADP998 4.4 25.0 1.0
O3A F:ADP998 4.4 25.0 1.0
F1 F:ALF999 4.6 25.0 1.0
PA F:ADP998 4.7 25.0 1.0
O1A F:ADP998 4.7 25.0 1.0
O F:ILE466 4.8 29.4 1.0
CB F:LYS183 4.9 6.4 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 02:14:37 2024

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