Magnesium in PDB 3s5m: Crystal Structures of Falcilysin, A M16 Metalloprotease From the Malaria Parasite Plasmodium Falciparum

The structure of Crystal Structures of Falcilysin, A M16 Metalloprotease From the Malaria Parasite Plasmodium Falciparum, PDB code: 3s5m was solved by E.Morgunova, M.Ponpuak, E.Istvan, A.Popov, D.Goldberg, T.Eneqvist, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.20 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	94.320, 106.700, 128.020, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21.4

The structure of Crystal Structures of Falcilysin, A M16 Metalloprotease From the Malaria Parasite Plasmodium Falciparum also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Magnesium atom in the Crystal Structures of Falcilysin, A M16 Metalloprotease From the Malaria Parasite Plasmodium Falciparum (pdb code 3s5m). 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 Structures of Falcilysin, A M16 Metalloprotease From the Malaria Parasite Plasmodium Falciparum, PDB code: 3s5m:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structures of Falcilysin, A M16 Metalloprotease From the Malaria Parasite Plasmodium Falciparum


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structures of Falcilysin, A M16 Metalloprotease From the Malaria Parasite Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2000 b:21.4 occ:1.00 O A:HOH1558 2.0 43.2 1.0 NE2 A:HIS157 2.2 24.0 1.0 O A:HOH1906 2.2 36.9 1.0 OE1 A:GLU152 2.5 36.4 1.0 OE2 A:GLU152 2.6 48.1 1.0 CD A:GLU152 2.9 40.7 1.0 O A:HOH1741 3.0 55.8 1.0 CE1 A:HIS157 3.1 22.1 1.0 CD2 A:HIS157 3.1 22.9 1.0 HD2 A:HIS157 3.3 27.4 1.0 HE1 A:HIS157 3.4 26.5 1.0 HD12 A:LEU160 3.5 25.3 1.0 O A:HOH1969 3.9 39.8 1.0 O A:HOH1360 4.0 27.1 1.0 HB2 A:LEU160 4.0 21.7 1.0 ND1 A:HIS157 4.2 19.4 1.0 CG A:HIS157 4.2 17.5 1.0 HA A:GLU152 4.4 21.4 1.0 CG A:GLU152 4.4 35.1 1.0 HG A:LEU160 4.5 27.1 1.0 CD1 A:LEU160 4.5 21.1 1.0 HA A:HIS159 4.6 22.2 1.0 H A:LEU160 4.7 20.9 1.0 HD11 A:LEU160 4.9 25.3 1.0 CG A:LEU160 4.9 22.6 1.0 HG3 A:GLU152 4.9 42.1 1.0 CB A:LEU160 4.9 18.2 1.0 HB2 A:GLU152 5.0 25.8 1.0 HG2 A:GLU152 5.0 42.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structures of Falcilysin, A M16 Metalloprotease From the Malaria Parasite Plasmodium Falciparum


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structures of Falcilysin, A M16 Metalloprotease From the Malaria Parasite Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2001 b:31.7 occ:1.00 HE2 A:HIS942 1.7 31.6 1.0 HE1 A:HIS824 1.8 49.7 0.6 O A:HOH2263 1.9 24.6 1.0 NE2 A:HIS942 2.4 26.4 1.0 O A:HOH2265 2.4 48.2 1.0 O A:HOH1938 2.5 53.5 1.0 CE1 A:HIS824 2.6 41.5 0.6 HE1 A:HIS942 2.7 45.6 1.0 CE1 A:HIS942 2.8 38.1 1.0 O A:HOH2264 3.1 47.4 1.0 NE2 A:HIS824 3.4 36.3 0.6 ND1 A:HIS824 3.5 46.0 0.6 HE2 A:HIS824 3.5 43.5 0.6 CD2 A:HIS942 3.6 26.5 1.0 ND1 A:HIS942 4.0 32.1 1.0 O A:HOH1840 4.1 35.5 1.0 O A:HOH1991 4.1 48.3 1.0 HD2 A:HIS942 4.1 31.8 1.0 HE3 A:LYS941 4.3 51.9 1.0 HE2 A:LYS941 4.3 51.9 1.0 HZ1 A:LYS941 4.4 69.2 1.0 HB2 A:SER823 4.4 23.4 1.0 CG A:HIS942 4.4 24.1 1.0 CD2 A:HIS824 4.5 43.7 0.6 CG A:HIS824 4.6 31.7 0.6 HB3 A:HIS824 4.7 28.2 0.4 CE A:LYS941 4.7 43.3 1.0

E.Morgunova, M.Ponpuak, E.Istvan, A.Popov, D.Goldberg, T.Eneqvist. Crystal Structures of Falcilysin, A M16 Metalloprotease From the Malaria Parasite Plasmodium Falciparum To Be Published.