Magnesium in PDB 2pl9: Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal

The structure of Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal, PDB code: 2pl9 was solved by J.Guhaniyogi, A.M.Stock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.40 / 2.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.058, 162.972, 37.341, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 27.4

The structure of Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal also contains other interesting chemical elements:

Fluorine

(F)

9 atoms

The binding sites of Magnesium atom in the Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal (pdb code 2pl9). 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 Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal, PDB code: 2pl9:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal


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 Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg130 b:21.9 occ:1.00 O A:ASN59 2.1 20.7 1.0 F1 A:BEF131 2.1 18.3 1.0 OD1 A:ASP13 2.2 20.8 1.0 OD2 A:ASP57 2.3 22.9 1.0 O A:HOH144 2.3 35.6 1.0 O A:HOH132 2.6 15.8 1.0 CG A:ASP13 3.0 21.5 1.0 OD2 A:ASP13 3.2 23.1 1.0 C A:ASN59 3.3 21.1 1.0 BE A:BEF131 3.3 19.3 1.0 CG A:ASP57 3.3 21.6 1.0 OD1 A:ASP57 3.7 22.0 1.0 CA A:ASN59 4.0 21.4 1.0 CB A:ASN59 4.0 22.1 1.0 O A:HOH147 4.3 15.8 1.0 OD1 A:ASP12 4.3 19.8 1.0 F2 A:BEF131 4.3 20.4 1.0 N A:ASN59 4.3 20.7 1.0 F3 A:BEF131 4.3 18.1 1.0 N A:MET60 4.4 20.6 1.0 CG A:MET60 4.4 21.6 1.0 CB A:ASP13 4.4 21.8 1.0 N A:ASP13 4.7 22.3 1.0 CA A:MET60 4.7 20.9 1.0 CB A:ASP57 4.7 20.5 1.0 NZ A:LYS109 4.9 21.3 1.0 CG A:ASP12 5.0 21.7 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal


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 Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg130 b:21.2 occ:1.00 F1 B:BEF131 2.0 21.5 1.0 O B:ASN59 2.0 21.1 1.0 OD2 B:ASP13 2.2 19.3 1.0 OD2 B:ASP57 2.2 20.4 1.0 O B:HOH134 2.3 23.7 1.0 O B:HOH133 2.4 6.0 1.0 CG B:ASP13 3.0 21.9 1.0 BE B:BEF131 3.1 21.6 1.0 C B:ASN59 3.2 21.3 1.0 CG B:ASP57 3.3 20.5 1.0 OD1 B:ASP13 3.3 23.7 1.0 OD1 B:ASP57 3.7 20.1 1.0 CA B:ASN59 4.0 21.6 1.0 OD1 B:ASP12 4.0 23.7 1.0 F3 B:BEF131 4.1 22.4 1.0 CB B:ASN59 4.1 21.8 1.0 F2 B:BEF131 4.2 22.0 1.0 N B:MET60 4.2 20.9 1.0 CG B:MET60 4.3 20.1 1.0 N B:ASN59 4.3 21.2 1.0 CB B:ASP13 4.4 21.0 1.0 CA B:MET60 4.5 20.9 1.0 N B:ASP13 4.5 21.3 1.0 CB B:ASP57 4.6 20.7 1.0 CG B:ASP12 4.7 22.2 1.0 CB B:MET60 4.9 20.9 1.0 NZ B:LYS109 4.9 23.0 1.0 CA B:ASP13 5.0 21.0 1.0 OD2 B:ASP12 5.0 21.5 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal


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 Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg130 b:18.9 occ:1.00 O C:HOH132 1.9 18.0 1.0 F1 C:BEF131 1.9 24.0 1.0 O C:HOH133 2.0 14.1 1.0 OD1 C:ASP13 2.2 20.9 1.0 OD2 C:ASP57 2.2 19.1 1.0 O C:ASN59 2.3 22.2 1.0 CG C:ASP13 3.0 20.6 1.0 BE C:BEF131 3.1 25.9 1.0 OD2 C:ASP13 3.2 19.8 1.0 CG C:ASP57 3.3 20.7 1.0 C C:ASN59 3.4 21.9 1.0 OD1 C:ASP57 3.7 20.7 1.0 CB C:ASN59 4.0 21.9 1.0 F3 C:BEF131 4.0 26.3 1.0 CA C:ASN59 4.1 22.1 1.0 F2 C:BEF131 4.2 25.5 1.0 OD1 C:ASP12 4.2 19.9 1.0 N C:ASN59 4.4 21.5 1.0 CD1 C:PHE14 4.4 18.9 1.0 CB C:ASP13 4.5 21.7 1.0 N C:MET60 4.5 22.0 1.0 CG C:MET60 4.5 22.8 1.0 CB C:ASP57 4.6 21.0 1.0 N C:ASP13 4.6 22.2 1.0 CE1 C:PHE14 4.6 16.7 1.0 CG C:ASN59 4.7 22.5 1.0 CG C:ASP12 4.8 20.9 1.0 CA C:MET60 4.8 22.3 1.0 OD2 C:ASP12 4.9 19.1 1.0 NZ C:LYS109 4.9 21.5 1.0 OD1 C:ASN59 5.0 24.4 1.0

J.Guhaniyogi, T.Wu, S.S.Patel, A.M.Stock. Interaction of Chey with the C-Terminal Peptide of Chez. J.Bacteriol. V. 190 1419 2008.
ISSN: ISSN 0021-9193
PubMed: 18083806
DOI: 10.1128/JB.01414-07