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Fluorine in PDB 1mnd: Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-ALF4

Enzymatic activity of Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-ALF4

All present enzymatic activity of Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-ALF4:
3.6.1.32;

Protein crystallography data

The structure of Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-ALF4, PDB code: 1mnd was solved by C.A.Smith, I.Rayment, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 2.60
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 87.900, 149.000, 153.800, 90.00, 90.00, 90.00
R / Rfree (%) 24.2 / n/a

Other elements in 1mnd:

The structure of Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-ALF4 also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Aluminium (Al) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-ALF4 (pdb code 1mnd). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-ALF4, PDB code: 1mnd:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 1mnd

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Fluorine binding site 1 out of 4 in the Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-ALF4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-ALF4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F999

b:48.6
occ:1.00
 F1 A:ALF999 0.0 48.6 1.0
AL A:ALF999 1.8 35.0 1.0
F3 A:ALF999 2.5 45.7 1.0
NZ A:LYS185 2.6 20.6 1.0
F4 A:ALF999 2.6 54.9 1.0
N A:GLY457 2.7 39.5 1.0
CA A:GLY457 2.9 45.3 1.0
O3B A:ADP998 3.0 34.2 1.0
O1B A:ADP998 3.2 22.3 1.0
CA A:SER181 3.4 16.7 1.0
PB A:ADP998 3.6 43.6 1.0
F2 A:ALF999 3.6 43.2 1.0
O A:HOH1099 3.6 50.8 1.0
C A:GLY457 3.8 22.0 1.0
O A:GLY457 3.9 27.8 1.0
O A:GLU180 3.9 54.1 1.0
CE A:LYS185 3.9 56.8 1.0
C A:SER456 3.9 54.9 1.0
CB A:SER181 4.0 24.6 1.0
N A:SER181 4.1 25.8 1.0
O2B A:ADP998 4.1 48.9 1.0
OG A:SER181 4.1 38.7 1.0
N A:GLY182 4.1 41.0 1.0
C A:GLU180 4.2 31.3 1.0
CA A:SER456 4.3 25.1 1.0
O A:GLY179 4.3 29.4 1.0
C A:SER181 4.4 20.9 1.0
O A:ILE455 4.6 41.9 1.0
MG A:MG997 4.6 42.2 1.0
N A:PHE458 5.0 11.2 1.0
O3A A:ADP998 5.0 23.1 1.0
O A:SER456 5.0 41.9 1.0

Fluorine binding site 2 out of 4 in 1mnd

Go back to Fluorine Binding Sites List in 1mnd
Fluorine binding site 2 out of 4 in the Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-ALF4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-ALF4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F999

b:43.2
occ:1.00
 F2 A:ALF999 0.0 43.2 1.0
AL A:ALF999 1.8 35.0 1.0
O3B A:ADP998 2.4 34.2 1.0
O A:HOH1101 2.5 41.9 1.0
F3 A:ALF999 2.5 45.7 1.0
F4 A:ALF999 2.6 54.9 1.0
OG A:SER237 2.7 30.0 1.0
N A:SER237 2.8 46.9 1.0
MG A:MG997 3.0 42.2 1.0
OG A:SER236 3.1 32.6 1.0
CA A:SER236 3.4 7.7 1.0
CB A:SER237 3.5 33.7 1.0
F1 A:ALF999 3.6 48.6 1.0
PB A:ADP998 3.6 43.6 1.0
C A:SER236 3.7 23.2 1.0
O2B A:ADP998 3.7 48.9 1.0
CA A:SER237 3.7 31.0 1.0
CB A:SER236 3.8 60.6 1.0
O A:ASN235 4.0 30.5 1.0
N A:SER236 4.4 25.4 1.0
O A:SER237 4.5 15.5 1.0
C A:SER237 4.5 51.5 1.0
O2A A:ADP998 4.6 26.4 1.0
ND2 A:ASN233 4.6 43.7 1.0
O A:HOH1099 4.6 50.8 1.0
C A:ASN235 4.6 35.4 1.0
O1B A:ADP998 4.7 22.3 1.0
O3A A:ADP998 4.7 23.1 1.0
OG A:SER181 4.7 38.7 1.0
O A:SER236 4.9 43.1 1.0
CG A:ASN233 4.9 15.9 1.0

Fluorine binding site 3 out of 4 in 1mnd

Go back to Fluorine Binding Sites List in 1mnd
Fluorine binding site 3 out of 4 in the Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-ALF4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-ALF4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F999

b:45.7
occ:1.00
 F3 A:ALF999 0.0 45.7 1.0
AL A:ALF999 1.8 35.0 1.0
OG A:SER181 2.4 38.7 1.0
F1 A:ALF999 2.5 48.6 1.0
F2 A:ALF999 2.5 43.2 1.0
O3B A:ADP998 3.0 34.2 1.0
O A:HOH1099 3.0 50.8 1.0
OG A:SER236 3.1 32.6 1.0
CB A:SER181 3.2 24.6 1.0
CA A:SER181 3.4 16.7 1.0
F4 A:ALF999 3.6 54.9 1.0
N A:GLY182 3.9 41.0 1.0
O A:HOH1039 3.9 24.5 1.0
C A:SER181 4.1 20.9 1.0
PB A:ADP998 4.3 43.6 1.0
O A:GLY457 4.3 27.8 1.0
CB A:SER236 4.4 60.6 1.0
N A:GLY457 4.4 39.5 1.0
O1B A:ADP998 4.6 22.3 1.0
N A:SER181 4.7 25.8 1.0
OE2 A:GLU459 4.7 8.9 1.0
CA A:GLY457 4.7 45.3 1.0
N A:SER237 4.8 46.9 1.0
CA A:SER236 4.8 7.7 1.0
O A:HOH1101 4.8 41.9 1.0
CB A:ASN233 4.9 8.1 1.0
NH2 A:ARG238 4.9 8.5 1.0
CA A:GLY182 5.0 26.1 1.0
C A:GLY457 5.0 22.0 1.0
NZ A:LYS185 5.0 20.6 1.0

Fluorine binding site 4 out of 4 in 1mnd

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Fluorine binding site 4 out of 4 in the Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-ALF4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-ALF4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F999

b:54.9
occ:1.00
 F4 A:ALF999 0.0 54.9 1.0
AL A:ALF999 1.8 35.0 1.0
MG A:MG997 2.1 42.2 1.0
O2B A:ADP998 2.2 48.9 1.0
O3B A:ADP998 2.5 34.2 1.0
F2 A:ALF999 2.6 43.2 1.0
F1 A:ALF999 2.6 48.6 1.0
PB A:ADP998 2.6 43.6 1.0
OG A:SER237 3.1 30.0 1.0
O1B A:ADP998 3.2 22.3 1.0
O A:HOH1101 3.2 41.9 1.0
NZ A:LYS185 3.3 20.6 1.0
F3 A:ALF999 3.6 45.7 1.0
CB A:SER237 3.8 33.7 1.0
O A:ILE455 3.9 41.9 1.0
OG1 A:THR186 3.9 15.7 1.0
O3A A:ADP998 4.2 23.1 1.0
OD2 A:ASP454 4.2 71.8 1.0
N A:GLY457 4.3 39.5 1.0
CA A:SER456 4.7 25.1 1.0
N A:SER237 4.7 46.9 1.0
CE A:LYS185 4.7 56.8 1.0
CB A:LYS185 4.7 69.9 1.0
CA A:SER237 4.8 31.0 1.0
C A:ILE455 5.0 19.1 1.0
CB A:THR186 5.0 32.8 1.0

Reference:

A.J.Fisher, C.A.Smith, J.B.Thoden, R.Smith, K.Sutoh, H.M.Holden, I.Rayment. X-Ray Structures of the Myosin Motor Domain of Dictyostelium Discoideum Complexed with Mgadp.Befx and Mgadp.ALF4-. Biochemistry V. 34 8960 1995.
ISSN: ISSN 0006-2960
PubMed: 7619795
DOI: 10.1021/BI00028A004
Page generated: Wed Jul 31 12:05:10 2024

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