Magnesium in PDB 4pj2: Crystal Structure of Aeromonas Hydrophila Plii in Complex with Meretrix Lusoria Lysozyme

All present enzymatic activity of Crystal Structure of Aeromonas Hydrophila Plii in Complex with Meretrix Lusoria Lysozyme:
3.2.1.17;

The structure of Crystal Structure of Aeromonas Hydrophila Plii in Complex with Meretrix Lusoria Lysozyme, PDB code: 4pj2 was solved by S.Leysen, J.M.Van Herreweghe, K.Yoneda, M.Ogata, T.Usui, C.W.Michiels, T.Araki, S.V.Strelkov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.80 / 1.24
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.933, 77.667, 69.380, 90.00, 108.12, 90.00
R / Rfree (%)	14.8 / 16.8

The binding sites of Magnesium atom in the Crystal Structure of Aeromonas Hydrophila Plii in Complex with Meretrix Lusoria Lysozyme (pdb code 4pj2). 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 Aeromonas Hydrophila Plii in Complex with Meretrix Lusoria Lysozyme, PDB code: 4pj2:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Aeromonas Hydrophila Plii in Complex with Meretrix Lusoria Lysozyme


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 Aeromonas Hydrophila Plii in Complex with Meretrix Lusoria Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:28.8 occ:1.00 O A:GLN92 2.2 28.1 1.0 OD1 A:ASP90 2.2 41.7 1.0 OD1 A:ASN88 2.3 36.2 1.0 OD1 A:ASP86 2.4 29.6 1.0 OE1 A:GLU94 2.5 24.8 1.0 OE2 A:GLU94 2.5 25.6 1.0 CD A:GLU94 2.8 24.2 1.0 CG A:ASP90 3.1 41.8 1.0 H A:GLN92 3.1 39.9 1.0 HA A:ASP86 3.2 31.1 1.0 H A:ASP90 3.2 48.7 1.0 H A:ASN88 3.3 39.9 1.0 CG A:ASN88 3.3 37.2 1.0 C A:GLN92 3.3 28.1 1.0 CG A:ASP86 3.3 29.4 1.0 OD2 A:ASP90 3.4 42.4 1.0 HB2 A:GLN92 3.5 42.2 1.0 HD22 A:ASN88 3.5 46.1 1.0 H A:LEU87 3.6 32.3 1.0 ND2 A:ASN88 3.8 38.4 1.0 N A:GLN92 3.8 33.3 1.0 CA A:ASP86 3.9 25.9 1.0 H A:GLY89 3.9 46.8 1.0 N A:ASP90 4.0 40.6 1.0 CA A:GLN92 4.0 32.0 1.0 CB A:ASP86 4.0 27.4 1.0 H A:GLU94 4.1 25.0 1.0 HB2 A:ASP86 4.1 32.9 1.0 N A:ASN88 4.1 33.3 1.0 N A:LEU87 4.1 26.9 1.0 HA A:PRO93 4.2 27.3 1.0 OD2 A:ASP86 4.2 31.0 1.0 CB A:GLN92 4.2 35.1 1.0 CB A:ASP90 4.2 41.4 1.0 H A:LYS91 4.3 46.3 1.0 N A:GLU94 4.3 20.8 1.0 CG A:GLU94 4.4 22.7 1.0 N A:PRO93 4.4 24.3 1.0 N A:GLY89 4.4 39.0 1.0 C A:PRO93 4.4 21.8 1.0 C A:ASP86 4.4 27.3 1.0 CA A:ASP90 4.5 40.4 1.0 N A:LYS91 4.5 38.6 1.0 O A:HOH443 4.5 22.0 1.0 CA A:PRO93 4.5 22.7 1.0 HB3 A:ASP90 4.5 49.7 1.0 CB A:ASN88 4.5 36.8 1.0 C A:ASP90 4.6 39.8 1.0 HD21 A:ASN88 4.6 46.1 1.0 O A:HOH403 4.7 32.6 1.0 CA A:ASN88 4.7 36.1 1.0 HB3 A:GLN92 4.7 42.2 1.0 HG3 A:GLU94 4.8 27.3 1.0 HG2 A:GLU94 4.8 27.3 1.0 C A:ASN88 4.8 38.2 1.0 HB3 A:ASN88 4.9 44.2 1.0 O A:PRO93 4.9 21.7 1.0 HA A:GLN92 4.9 38.4 1.0 C A:LYS91 4.9 35.6 1.0 HB3 A:ASP86 4.9 32.9 1.0 HB2 A:GLU94 5.0 25.4 1.0 HB2 A:ASP90 5.0 49.7 1.0 HG22 A:THR114 5.0 28.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Aeromonas Hydrophila Plii in Complex with Meretrix Lusoria Lysozyme


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 Aeromonas Hydrophila Plii in Complex with Meretrix Lusoria Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg201 b:25.5 occ:0.69 H B:SER31 2.2 20.3 1.0 HA B:GLN92 2.3 48.0 1.0 HD3 B:PRO93 2.4 39.2 1.0 HD2 B:PRO93 2.4 39.2 1.0 HB3 B:SER31 2.5 22.5 1.0 HD2 B:PRO30 2.7 21.2 1.0 HB3 B:LEU29 2.8 18.7 1.0 O B:HOH301 2.8 44.8 1.0 CD B:PRO93 2.8 32.6 1.0 N B:SER31 2.9 16.9 1.0 HB2 B:GLN92 3.0 51.2 1.0 CA B:GLN92 3.2 40.0 1.0 CB B:SER31 3.2 18.8 1.0 HB2 B:PRO30 3.2 22.1 1.0 OG B:SER31 3.4 20.4 1.0 CB B:GLN92 3.4 42.6 1.0 CD B:PRO30 3.5 17.6 1.0 O B:LYS91 3.5 41.8 1.0 HB3 B:GLN92 3.5 51.2 1.0 N B:PRO30 3.5 15.5 1.0 HG B:SER31 3.6 24.5 1.0 O B:HOH417 3.6 30.4 1.0 CA B:SER31 3.6 17.5 1.0 CB B:LEU29 3.6 15.6 1.0 HB2 B:LEU29 3.7 18.7 1.0 N B:PRO93 3.8 33.4 1.0 C B:PRO30 3.9 17.0 1.0 CB B:PRO30 3.9 18.4 1.0 HG2 B:PRO30 3.9 23.5 1.0 HD13 B:LEU29 4.0 23.8 1.0 CA B:PRO30 4.0 16.7 1.0 CG B:PRO30 4.0 19.6 1.0 C B:GLN92 4.0 36.2 1.0 HB2 B:SER31 4.0 22.5 1.0 HA B:SER31 4.1 21.0 1.0 CG B:PRO93 4.1 31.3 1.0 C B:LEU29 4.1 14.1 1.0 HG3 B:PRO93 4.1 37.6 1.0 N B:GLN92 4.2 41.0 1.0 C B:LYS91 4.2 42.0 1.0 HD3 B:PRO30 4.3 21.2 1.0 CA B:LEU29 4.4 14.1 1.0 HG2 B:PRO93 4.4 37.6 1.0 HD22 B:LEU29 4.6 22.8 1.0 CD1 B:LEU29 4.6 19.8 1.0 HA B:LEU29 4.6 16.9 1.0 CG B:LEU29 4.7 17.5 1.0 HD12 B:LEU29 4.7 23.8 1.0 H B:GLY32 4.8 17.6 1.0 HB3 B:PRO30 4.8 22.1 1.0 O B:HOH309 4.8 49.2 1.0 O B:LEU29 4.9 13.9 1.0 CG B:GLN92 4.9 45.2 1.0 C B:SER31 4.9 16.4 1.0 HA B:PRO30 4.9 20.0 1.0 O B:PRO30 5.0 17.6 1.0 H B:GLN92 5.0 49.2 1.0 HG3 B:PRO30 5.0 23.5 1.0

S.Leysen, J.M.Van Herreweghe, K.Yoneda, M.Ogata, T.Usui, T.Araki, C.W.Michiels, S.V.Strelkov. The Structure of the Proteinaceous Inhibitor Plii From Aeromonas Hydrophila in Complex with Its Target Lysozyme. Acta Crystallogr.,Sect.D V. 71 344 2015.
ISSN: ISSN 0907-4449
DOI: 10.1107/S1399004714025863