Magnesium in PDB 9iy0: Anti-Hev Mab 8H3

The structure of Anti-Hev Mab 8H3, PDB code: 9iy0 was solved by Z.Minghua, Z.Lizhi, H.Yang, G.Ying, L.Shaowei, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.97 / 1.97
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.089, 103.062, 52.044, 90, 90.53, 90
R / Rfree (%)	19.2 / 23.1

The binding sites of Magnesium atom in the Anti-Hev Mab 8H3 (pdb code 9iy0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Anti-Hev Mab 8H3, PDB code: 9iy0:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Anti-Hev Mab 8H3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Anti-Hev Mab 8H3 within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg301 b:52.0 occ:1.00 O L:HOH459 2.1 43.4 1.0 OG1 L:THR119 2.2 32.7 1.0 H L:THR119 2.7 43.0 1.0 HB L:THR119 3.0 44.3 1.0 N L:THR119 3.0 35.8 1.0 HB2 L:ASN143 3.0 42.5 1.0 CB L:THR119 3.1 36.9 1.0 O L:ASN142 3.1 31.4 1.0 O L:ALA117 3.5 35.1 1.0 CA L:THR119 3.5 35.8 1.0 HA L:PRO118 3.6 42.0 1.0 C L:PRO118 3.6 30.8 1.0 HA L:THR119 3.9 43.0 1.0 O L:ASN143 4.0 35.5 1.0 CB L:ASN143 4.0 35.4 1.0 CA L:PRO118 4.1 34.9 1.0 C L:ASN142 4.2 32.4 1.0 O L:PRO118 4.3 31.2 1.0 HB3 L:ASN143 4.4 42.5 1.0 CG2 L:THR119 4.4 35.9 1.0 C L:ALA117 4.5 32.4 1.0 HG21 L:THR119 4.5 43.1 1.0 C L:ASN143 4.6 33.1 1.0 OD1 L:ASN143 4.6 38.0 1.0 HB2 L:ASN142 4.7 37.8 1.0 CA L:ASN143 4.7 32.2 1.0 O L:HOH468 4.8 41.0 1.0 CG L:ASN143 4.8 33.9 1.0 N L:PRO118 4.8 31.2 1.0 C L:THR119 4.9 29.1 1.0 N L:ASN143 4.9 34.4 1.0 HG23 L:THR119 4.9 43.1 1.0

Magnesium binding site 2 out of 4 in the Anti-Hev Mab 8H3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Anti-Hev Mab 8H3 within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg302 b:76.5 occ:1.00 HD21 L:ASN1 1.8 120.1 1.0 ND2 L:ASN1 1.9 100.0 1.0 HD22 L:ASN1 2.3 120.1 1.0 CG L:ASN1 2.3 99.8 1.0 O H:HOH522 2.6 53.2 1.0 OD1 L:ASN1 2.7 95.9 1.0 HG H:SER61 3.0 65.8 1.0 O H:HOH405 3.0 45.5 1.0 OG H:SER61 3.3 54.8 1.0 HB3 L:ASN1 3.3 116.4 1.0 CB L:ASN1 3.4 96.9 1.0 HB2 L:ASN1 3.8 116.4 1.0 O L:HOH485 3.9 56.5 1.0 O L:HOH430 4.1 45.5 1.0 H H:SER61 4.2 56.9 1.0 HB3 H:SER61 4.3 56.4 1.0 CB H:SER61 4.4 46.9 1.0 O H:HOH448 4.6 47.8 1.0 OD1 H:ASN60 4.6 48.6 1.0 HA L:ASN1 4.7 107.6 1.0 CA L:ASN1 4.7 89.6 1.0 N H:SER61 4.9 47.4 1.0 H1 L:ASN1 4.9 106.5 1.0

Magnesium binding site 3 out of 4 in the Anti-Hev Mab 8H3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Anti-Hev Mab 8H3 within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg303 b:79.2 occ:1.00 OE2 L:GLU87 2.1 48.0 1.0 O L:HOH457 2.5 45.7 1.0 HG1 L:THR86 2.7 55.4 1.0 CD L:GLU87 2.9 42.9 1.0 O L:HOH421 3.0 45.0 1.0 HB3 L:GLN85 3.3 43.6 1.0 OE1 L:GLU87 3.4 48.0 1.0 OG1 L:THR86 3.4 46.1 1.0 H L:THR86 3.6 43.9 1.0 OE1 L:GLN85 3.9 43.1 1.0 H L:GLU87 3.9 45.5 1.0 HG23 L:THR86 3.9 45.4 1.0 HZ3 L:LYS174 4.0 74.1 1.0 HG3 L:GLU87 4.0 64.1 1.0 CG L:GLU87 4.1 53.4 1.0 N L:THR86 4.2 36.5 1.0 CB L:GLN85 4.3 36.3 1.0 HZ1 L:LYS174 4.5 74.1 1.0 CB L:THR86 4.5 43.6 1.0 HG2 L:GLU87 4.5 64.1 1.0 HA L:GLN85 4.6 49.1 1.0 HE2 L:LYS174 4.6 70.4 1.0 CG2 L:THR86 4.6 37.8 1.0 NZ L:LYS174 4.6 61.7 1.0 N L:GLU87 4.7 37.8 1.0 CD L:GLN85 4.8 38.9 1.0 HG3 L:GLN85 4.8 45.2 1.0 HB2 L:GLN85 4.8 43.6 1.0 CG L:GLN85 4.9 37.6 1.0 CA L:GLN85 4.9 40.9 1.0 HG21 L:THR86 4.9 45.4 1.0 CA L:THR86 4.9 41.6 1.0 C L:GLN85 5.0 38.1 1.0

Magnesium binding site 4 out of 4 in the Anti-Hev Mab 8H3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Anti-Hev Mab 8H3 within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg301 b:45.3 occ:1.00 OG H:SER194 2.0 53.8 1.0 H H:SER194 2.4 48.4 1.0 O H:HOH527 2.5 55.8 1.0 O H:SER189 2.6 37.1 1.0 HD2 H:PRO193 3.0 51.2 1.0 O H:TRP192 3.1 35.6 1.0 N H:SER194 3.2 40.2 1.0 C H:TRP192 3.2 40.3 1.0 CB H:SER194 3.2 45.2 1.0 H H:TRP192 3.3 46.8 1.0 HA H:SER190 3.4 48.2 1.0 N H:PRO193 3.5 37.0 1.0 N H:TRP192 3.5 38.9 1.0 HB2 H:SER194 3.6 54.3 1.0 C H:SER190 3.6 40.1 1.0 CD H:PRO193 3.7 42.6 1.0 CA H:SER194 3.7 43.4 1.0 C H:SER189 3.8 40.6 1.0 O H:SER190 3.8 39.3 1.0 CA H:TRP192 3.9 38.6 1.0 HB3 H:SER194 3.9 54.3 1.0 CA H:SER190 3.9 40.1 1.0 N H:THR191 4.0 35.6 1.0 HA H:TRP192 4.1 46.3 1.0 HA H:SER194 4.1 52.1 1.0 C H:THR191 4.1 42.3 1.0 C H:PRO193 4.2 43.0 1.0 H H:THR191 4.3 42.8 1.0 HD3 H:PRO193 4.3 51.2 1.0 N H:SER190 4.3 33.7 1.0 CA H:PRO193 4.4 40.3 1.0 CA H:THR191 4.5 40.3 1.0 HG2 H:PRO193 4.6 51.1 1.0 O H:HOH457 4.6 49.2 1.0 HA H:THR191 4.6 48.5 1.0 CG H:PRO193 4.7 42.5 1.0 H H:GLU195 4.8 51.7 1.0 HA H:SER189 4.9 46.7 1.0 O H:THR191 4.9 43.5 1.0 CA H:SER189 5.0 38.8 1.0

Z.Minghua, Z.Lizhi, G.Ying, L.Shaowei. Structural Basis For the Synergetic Neutralization of Hepatitis E Virus By Antibody-Antibody Interaction To Be Published.