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Magnesium in PDB 1qvi: Crystal Structure of Scallop Myosin S1 in the Pre-Power Stroke State to 2.6 Angstrom Resolution: Flexibility and Function in the Head

Protein crystallography data

The structure of Crystal Structure of Scallop Myosin S1 in the Pre-Power Stroke State to 2.6 Angstrom Resolution: Flexibility and Function in the Head, PDB code: 1qvi was solved by S.Gourinath, D.M.Himmel, J.H.Brown, L.Reshetnikova, A.G.Szent-Gyrgyi, C.Cohen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.58 / 2.54
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.375, 285.623, 59.831, 90.00, 114.50, 90.00
R / Rfree (%) 21.2 / 26.6

Other elements in 1qvi:

The structure of Crystal Structure of Scallop Myosin S1 in the Pre-Power Stroke State to 2.6 Angstrom Resolution: Flexibility and Function in the Head also contains other interesting chemical elements:

Calcium (Ca) 1 atom
Vanadium (V) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Scallop Myosin S1 in the Pre-Power Stroke State to 2.6 Angstrom Resolution: Flexibility and Function in the Head (pdb code 1qvi). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Scallop Myosin S1 in the Pre-Power Stroke State to 2.6 Angstrom Resolution: Flexibility and Function in the Head, PDB code: 1qvi:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 1qvi

Go back to Magnesium Binding Sites List in 1qvi
Magnesium binding site 1 out of 2 in the Crystal Structure of Scallop Myosin S1 in the Pre-Power Stroke State to 2.6 Angstrom Resolution: Flexibility and Function in the Head


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Scallop Myosin S1 in the Pre-Power Stroke State to 2.6 Angstrom Resolution: Flexibility and Function in the Head within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1997

b:28.3
occ:1.00
O1B A:ADP1999 2.4 23.4 1.0
OG1 A:THR183 2.4 26.2 1.0
O1 A:VO41998 2.5 20.3 1.0
CB A:SER241 2.9 31.7 1.0
PB A:ADP1999 3.3 20.0 1.0
OD1 A:ASP460 3.3 75.9 1.0
CB A:THR183 3.3 31.6 1.0
OG A:SER241 3.6 49.9 1.0
O3B A:ADP1999 3.8 15.1 1.0
OD2 A:ASP460 3.8 65.8 1.0
N A:THR183 3.8 27.6 1.0
CG A:ASP460 4.0 64.1 1.0
V A:VO41998 4.0 25.6 1.0
CA A:THR183 4.1 28.6 1.0
O A:ILE461 4.2 36.3 1.0
CA A:SER241 4.2 30.4 1.0
N A:SER241 4.2 27.4 1.0
O2B A:ADP1999 4.4 11.5 1.0
O3 A:VO41998 4.5 24.5 1.0
O A:HOH2025 4.5 39.2 1.0
CB A:LYS182 4.5 13.7 1.0
O3A A:ADP1999 4.5 2.4 1.0
CG2 A:THR183 4.6 23.3 1.0
CE A:LYS182 4.6 13.3 1.0
O4 A:VO41998 4.8 31.6 1.0
O2A A:ADP1999 4.8 19.8 1.0
O A:SER241 4.9 35.1 1.0
C A:LYS182 4.9 26.7 1.0
NZ A:LYS182 5.0 11.2 1.0

Magnesium binding site 2 out of 2 in 1qvi

Go back to Magnesium Binding Sites List in 1qvi
Magnesium binding site 2 out of 2 in the Crystal Structure of Scallop Myosin S1 in the Pre-Power Stroke State to 2.6 Angstrom Resolution: Flexibility and Function in the Head


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Scallop Myosin S1 in the Pre-Power Stroke State to 2.6 Angstrom Resolution: Flexibility and Function in the Head within 5.0Å range:
probe atom residue distance (Å) B Occ
Y:Mg502

b:52.7
occ:1.00
O Y:PHE34 2.4 50.8 1.0
OD1 Y:ASP32 2.6 86.2 1.0
OD1 Y:ASP30 2.9 63.4 1.0
OD2 Y:ASP30 2.9 58.5 1.0
OD1 Y:ASP39 3.0 78.1 1.0
OD2 Y:ASP32 3.2 79.2 1.0
CG Y:ASP32 3.2 75.2 1.0
CG Y:ASP30 3.3 63.6 1.0
OG Y:SER36 3.3 41.7 1.0
OD1 Y:ASP28 3.3 51.3 1.0
C Y:PHE34 3.5 57.7 1.0
N Y:SER36 3.5 56.8 1.0
CG Y:ASP39 3.6 77.3 1.0
CB Y:SER36 3.7 59.0 1.0
C Y:VAL35 4.0 56.4 1.0
CA Y:VAL35 4.0 58.0 1.0
OD2 Y:ASP39 4.1 71.7 1.0
N Y:VAL35 4.1 59.0 1.0
CA Y:SER36 4.3 60.4 1.0
CB Y:ASP39 4.5 75.5 1.0
CA Y:PHE34 4.5 57.2 1.0
CG Y:ASP28 4.6 66.9 1.0
CB Y:ASP32 4.6 66.5 1.0
CB Y:PHE34 4.7 62.7 1.0
N Y:PHE34 4.8 57.4 1.0
CB Y:ASP30 4.8 61.5 1.0
OE2 Y:GLU38 4.8 97.3 1.0
O Y:VAL35 4.9 53.0 1.0
CG Y:GLU38 4.9 89.5 1.0

Reference:

S.Gourinath, D.M.Himmel, J.H.Brown, L.Reshetnikova, A.G.Szent-Gyorgyi, C.Cohen. Crystal Structure of Scallop Myosin S1 in the Pre-Power Stroke State to 2.6 A Resolution: Flexibility and Function in the Head. Structure V. 11 1621 2003.
ISSN: ISSN 0969-2126
PubMed: 14656445
DOI: 10.1016/J.STR.2003.10.013
Page generated: Mon Dec 14 06:39:40 2020

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