Magnesium in PDB 8t6h: X-Ray Crystal Structure of Pfa-M1(E319A)

The structure of X-Ray Crystal Structure of Pfa-M1(E319A), PDB code: 8t6h was solved by C.T.Webb, S.Mcgowan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.79 / 1.98
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.96, 109.15, 117.16, 90, 90, 90
R / Rfree (%)	19.3 / 24.3

The structure of X-Ray Crystal Structure of Pfa-M1(E319A) also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Magnesium atom in the X-Ray Crystal Structure of Pfa-M1(E319A) (pdb code 8t6h). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the X-Ray Crystal Structure of Pfa-M1(E319A), PDB code: 8t6h:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the X-Ray Crystal Structure of Pfa-M1(E319A)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Crystal Structure of Pfa-M1(E319A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1102 b:32.4 occ:1.00 O A:GLY250 2.0 22.6 1.0 O A:HOH1539 2.1 25.3 1.0 O A:HOH1755 2.2 23.4 1.0 O A:HOH1598 2.2 28.2 1.0 O A:HOH1583 2.3 20.7 1.0 C A:GLY250 3.0 22.3 1.0 CA A:GLY250 3.6 22.2 1.0 O A:HOH1351 4.1 20.1 1.0 N A:LEU251 4.2 22.4 1.0 O A:HOH1341 4.2 28.5 1.0 O A:HOH1768 4.3 38.0 1.0 ND1 A:HIS297 4.4 28.2 1.0 CA A:LEU251 4.6 23.6 1.0 O A:HOH1733 4.6 18.6 1.0 O A:ILE295 4.6 24.1 1.0 C A:LEU251 4.8 25.4 1.0 N A:LYS252 4.9 24.9 1.0 CA A:ILE296 4.9 24.4 1.0 CE1 A:HIS297 4.9 30.5 1.0 N A:GLY250 5.0 20.7 1.0

Magnesium binding site 2 out of 3 in the X-Ray Crystal Structure of Pfa-M1(E319A)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of X-Ray Crystal Structure of Pfa-M1(E319A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1107 b:39.8 occ:1.00 O A:HOH1445 2.6 24.6 1.0 O A:HOH1214 2.6 19.6 1.0 O A:HOH1490 2.9 22.1 1.0 O A:HOH1452 3.1 26.6 1.0 OG A:SER486 3.3 17.8 1.0 CB A:LEU958 3.5 18.9 1.0 OE2 A:GLU962 4.0 25.1 1.0 CD1 A:LEU958 4.0 19.3 1.0 CG A:LEU958 4.3 19.9 1.0 O A:LEU958 4.3 21.3 1.0 CG A:GLU962 4.4 20.9 1.0 C A:LEU958 4.4 20.8 1.0 CB A:SER486 4.4 17.7 1.0 O A:LEU476 4.5 20.9 1.0 CA A:ASN473 4.5 20.1 1.0 CB A:ASN473 4.5 16.4 1.0 CA A:LEU958 4.5 20.5 1.0 O A:ASN473 4.5 20.4 1.0 OG A:SER482 4.5 23.8 1.0 CD A:GLU962 4.6 22.7 1.0 CD2 A:LEU958 4.7 19.8 1.0 CB A:SER482 4.8 22.9 1.0 C A:ASN473 5.0 19.8 1.0

Magnesium binding site 3 out of 3 in the X-Ray Crystal Structure of Pfa-M1(E319A)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of X-Ray Crystal Structure of Pfa-M1(E319A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1108 b:34.3 occ:1.00 OG1 A:THR503 2.8 38.6 1.0 ND1 A:HIS500 3.2 21.4 1.0 N A:GLY504 3.6 37.6 1.0 CB A:THR503 3.6 39.6 1.0 O A:HIS500 3.6 28.6 1.0 O A:HOH1509 3.9 29.3 1.0 CB A:LYS518 3.9 27.2 1.0 CA A:HIS500 4.0 24.3 1.0 O A:HOH1618 4.0 26.6 1.0 CA A:GLY504 4.0 35.9 1.0 C A:THR503 4.1 39.9 1.0 CE1 A:HIS500 4.1 20.1 1.0 O A:HOH1208 4.2 23.6 1.0 OG1 A:THR522 4.2 16.1 1.0 CG A:HIS500 4.2 21.6 1.0 C A:HIS500 4.3 28.1 1.0 CD A:LYS518 4.4 30.7 1.0 CB A:HIS500 4.4 22.9 1.0 CA A:THR503 4.4 40.4 1.0 O A:HOH1257 4.5 39.4 1.0 CA A:LYS518 4.5 25.0 1.0 CG A:LYS518 4.6 28.1 1.0 O A:LYS518 4.7 24.3 1.0 O A:THR503 4.8 41.3 1.0 CG2 A:THR503 4.8 40.1 1.0 O A:VAL507 4.9 43.3 1.0 O A:PHE499 5.0 21.0 1.0

W.Yang, N.Drinkwater, C.T.Webb, S.Mcgowan. Conformational Dynamics of the Plasmodium Falciparum M1 Aminopeptidase. To Be Published.