Magnesium in PDB 8xo2: Crystal Structure of Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (P21212 Space Group)

The structure of Crystal Structure of Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (P21212 Space Group), PDB code: 8xo2 was solved by S.Oishi, A.Takahara, T.Nakatsu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.80 / 1.31
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	54.038, 54.78, 64.623, 90, 90, 90
R / Rfree (%)	17.9 / 20.5

The binding sites of Magnesium atom in the Crystal Structure of Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (P21212 Space Group) (pdb code 8xo2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (P21212 Space Group), PDB code: 8xo2:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (P21212 Space Group)


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 Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (P21212 Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:37.1 occ:1.00 O B:HOH620 2.0 24.3 1.0 OD1 B:ASP472 2.1 18.3 1.0 CG B:ASP472 3.2 16.8 1.0 OD2 B:ASP472 3.6 21.7 1.0 O B:HOH616 4.2 35.7 1.0 O B:ALA468 4.3 11.3 1.0 O B:HOH669 4.3 39.4 1.0 O B:HOH644 4.3 48.8 1.0 CB B:ASP472 4.5 13.2 1.0 OE1 B:GLU475 4.7 32.2 0.7 CA B:ASP472 4.8 12.3 1.0 N B:ASP472 4.8 11.7 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (P21212 Space Group)


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 Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (P21212 Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg201 b:23.1 occ:0.50 O C:HOH307 1.9 33.5 1.0 O C:HOH337 2.0 42.0 1.0 OE2 C:GLU155 2.1 20.8 0.5 CD C:GLU155 3.1 21.2 0.5 OE1 C:GLU155 3.5 22.6 0.5 O C:HOH343 3.7 46.8 1.0 CD C:GLU155 4.1 25.0 0.5 OE1 C:GLU155 4.1 25.3 0.5 OE2 C:GLU155 4.2 26.5 0.5 CG C:GLU155 4.5 21.4 0.5 CA C:ALA152 4.5 24.9 1.0 CB C:GLU155 4.7 20.1 0.5 CB C:ALA152 4.8 27.1 1.0 CG C:GLU155 4.8 21.5 0.5 N C:ALA152 5.0 23.9 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (P21212 Space Group)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (P21212 Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg501 b:21.5 occ:1.00 O F:HOH615 2.0 22.4 1.0 OD1 F:ASP472 2.1 19.0 1.0 O F:HOH628 2.1 30.7 1.0 O F:HOH621 2.1 22.8 1.0 O F:HOH607 2.1 30.5 1.0 CG F:ASP472 3.1 15.6 1.0 OD2 F:ASP472 3.6 18.0 1.0 O F:HOH601 3.9 52.6 1.0 O F:HOH649 4.0 18.3 0.5 O F:ALA468 4.4 11.1 1.0 OE1 F:GLU475 4.4 30.7 1.0 CB F:ASP472 4.4 14.1 1.0 OE2 F:GLU475 4.4 32.6 1.0 CA F:ASP472 4.6 13.0 1.0 N F:ASP472 4.7 11.7 1.0 CD F:GLU475 4.7 27.2 1.0 OE1 F:GLU471 4.9 26.8 0.5

Magnesium binding site 4 out of 4 in the Crystal Structure of Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (P21212 Space Group)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (P21212 Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg502 b:43.9 occ:1.00 O F:HOH620 2.1 44.3 1.0 OD2 F:ASP458 2.1 34.1 1.0 O F:HOH613 2.1 39.0 1.0 O F:HOH616 2.5 30.5 1.0 O F:HOH637 2.7 49.2 1.0 O F:HOH645 2.7 33.6 1.0 CG F:ASP458 3.0 24.4 1.0 OD1 F:ASP458 3.3 23.8 1.0 NH2 F:ARG456 4.1 49.3 1.0 O F:HOH627 4.3 36.3 1.0 CB F:ASP458 4.4 18.9 1.0 O F:HOH642 4.8 39.4 1.0 CZ F:ARG456 4.9 50.7 1.0

A.Takahara, T.Nakatsu, K.Hirata, H.Hayashi, K.Kawaji, S.Inuki, H.Ohno, H.Kato, E.Kodama, S.Oishi. Structure-Based Design of Measles Virus Fusion Inhibitors To Be Published.