Magnesium in PDB 5xm7: Crystal Structure of Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-((2S,3R)-3-Amino-2-Hydroxy-4-Phenylbutanamido)-N-Hydroxy- 4-Methylpentanamide

The structure of Crystal Structure of Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-((2S,3R)-3-Amino-2-Hydroxy-4-Phenylbutanamido)-N-Hydroxy- 4-Methylpentanamide, PDB code: 5xm7 was solved by A.K.Marapaka, Y.Zhang, A.Addlagatta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.98 / 1.96
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.462, 109.103, 112.372, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 21.9

The structure of Crystal Structure of Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-((2S,3R)-3-Amino-2-Hydroxy-4-Phenylbutanamido)-N-Hydroxy- 4-Methylpentanamide also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-((2S,3R)-3-Amino-2-Hydroxy-4-Phenylbutanamido)-N-Hydroxy- 4-Methylpentanamide (pdb code 5xm7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-((2S,3R)-3-Amino-2-Hydroxy-4-Phenylbutanamido)-N-Hydroxy- 4-Methylpentanamide, PDB code: 5xm7:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-((2S,3R)-3-Amino-2-Hydroxy-4-Phenylbutanamido)-N-Hydroxy- 4-Methylpentanamide


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 Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-((2S,3R)-3-Amino-2-Hydroxy-4-Phenylbutanamido)-N-Hydroxy- 4-Methylpentanamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1102 b:33.2 occ:1.00 O A:HOH1513 2.2 34.1 1.0 O A:HOH1311 2.2 25.9 1.0 O A:GLY250 2.3 24.3 1.0 O A:HOH1484 2.3 31.8 1.0 C A:GLY250 3.4 27.7 1.0 CA A:GLY250 4.1 30.2 1.0 O A:HOH1347 4.3 27.3 1.0 N A:LEU251 4.5 28.3 1.0 CD2 A:HIS297 4.6 30.0 1.0 O A:ILE295 4.7 27.2 1.0 CA A:LEU251 4.8 27.0 1.0 CA A:ILE296 4.8 25.1 1.0 O A:HOH1549 4.9 20.6 1.0 O A:HOH1438 5.0 30.7 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-((2S,3R)-3-Amino-2-Hydroxy-4-Phenylbutanamido)-N-Hydroxy- 4-Methylpentanamide


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 Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-((2S,3R)-3-Amino-2-Hydroxy-4-Phenylbutanamido)-N-Hydroxy- 4-Methylpentanamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1103 b:46.8 occ:1.00 O A:HOH1486 2.0 10.6 0.2 O A:HOH1384 2.0 12.5 0.3 O A:HOH1564 2.1 13.6 0.2 O A:HOH1214 2.1 11.1 0.2 O A:HOH1575 2.1 10.8 0.2 O A:HOH1411 2.3 6.8 0.3 O2 A:GOL1109 3.5 77.3 1.0 OE2 A:GLU957 3.7 30.9 1.0 O A:HOH1358 4.1 39.2 1.0 ND2 A:ASN992 4.2 32.4 1.0 OD2 A:ASP995 4.2 29.1 1.0 C2 A:GOL1109 4.3 64.7 1.0 O A:HOH1561 4.5 41.4 1.0 CD A:GLU957 4.5 38.3 1.0 O A:HOH1289 4.5 36.4 1.0 O A:HOH1445 4.6 28.3 1.0 CG A:GLU957 4.7 39.0 1.0 C1 A:GOL1109 4.8 57.2 1.0 CE A:LYS311 4.9 38.9 1.0 CB A:ASN992 4.9 30.3 1.0 CG A:ASN992 5.0 32.4 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-((2S,3R)-3-Amino-2-Hydroxy-4-Phenylbutanamido)-N-Hydroxy- 4-Methylpentanamide


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 Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-((2S,3R)-3-Amino-2-Hydroxy-4-Phenylbutanamido)-N-Hydroxy- 4-Methylpentanamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1104 b:65.0 occ:1.00 O A:HOH1570 2.1 48.6 1.0 O A:HOH1385 2.1 41.5 1.0 O A:HOH1551 2.3 67.3 1.0 O A:HOH1290 2.4 39.0 1.0 O A:HOH1282 2.4 30.2 1.0 O A:HOH1291 3.9 28.7 1.0 CB A:ALA434 4.1 27.6 1.0 OE1 A:GLU437 4.3 28.6 1.0 OD1 A:ASP438 4.3 32.7 1.0 OH A:TYR399 4.4 28.9 1.0 OD2 A:ASP438 4.4 33.7 1.0 CA A:ALA434 4.7 25.1 1.0 CG A:ASP438 4.8 31.0 1.0

A.K.Marapaka, A.Addlagatta. Crystal Structure of Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-((2S,3R)-3-Amino-2-Hydroxy-4-Phenylbutanamido) -N-Hydroxy-4-Methylpentanamide To Be Published.