Magnesium in PDB 6cl6: Structure of P. Aeruginosa R2 Pyocin Fiber PA0620 Comprising C- Terminal Residues 323-691

The structure of Structure of P. Aeruginosa R2 Pyocin Fiber PA0620 Comprising C- Terminal Residues 323-691, PDB code: 6cl6 was solved by S.A.Buth, M.M.Shneider, P.G.Leiman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.96 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.320, 126.946, 432.938, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 20.8

The structure of Structure of P. Aeruginosa R2 Pyocin Fiber PA0620 Comprising C- Terminal Residues 323-691 also contains other interesting chemical elements:

Iron	(Fe)	2 atoms
Calcium	(Ca)	6 atoms

The binding sites of Magnesium atom in the Structure of P. Aeruginosa R2 Pyocin Fiber PA0620 Comprising C- Terminal Residues 323-691 (pdb code 6cl6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of P. Aeruginosa R2 Pyocin Fiber PA0620 Comprising C- Terminal Residues 323-691, PDB code: 6cl6:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of P. Aeruginosa R2 Pyocin Fiber PA0620 Comprising C- Terminal Residues 323-691


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of P. Aeruginosa R2 Pyocin Fiber PA0620 Comprising C- Terminal Residues 323-691 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg702 b:23.4 occ:1.00 O A:HOH1085 2.0 24.9 1.0 O A:HOH865 2.0 21.2 1.0 O B:HOH884 2.0 22.2 1.0 O C:HOH830 2.1 20.0 1.0 O B:HOH1101 2.1 22.7 1.0 O C:HOH1099 2.3 25.8 1.0 OD2 A:ASP613 3.7 26.6 1.0 OD2 C:ASP613 3.9 27.2 1.0 O C:HOH1180 3.9 33.0 1.0 O B:HOH936 3.9 29.1 1.0 O C:VAL597 4.0 28.3 1.0 O A:VAL597 4.0 24.6 1.0 OD2 B:ASP613 4.0 27.2 1.0 O B:HOH966 4.1 46.3 1.0 O B:VAL597 4.1 27.2 1.0 O A:HOH864 4.1 42.2 1.0 O C:HOH881 4.3 25.7 1.0 O B:HOH864 4.5 23.9 1.0 HA3 A:GLY596 4.5 28.3 1.0 HA3 B:GLY596 4.5 35.1 1.0 O A:HOH808 4.6 26.1 1.0 HA3 C:GLY596 4.6 27.8 1.0 H C:ALA599 4.7 30.6 1.0 H B:ALA599 4.8 29.2 1.0 CG A:ASP613 4.8 22.7 1.0 H A:ALA599 4.8 30.0 1.0 HA C:PRO598 4.9 29.2 1.0 CG C:ASP613 4.9 38.0 1.0 HA A:PRO598 4.9 34.7 1.0 HB2 C:ALA599 5.0 27.2 1.0

Magnesium binding site 2 out of 2 in the Structure of P. Aeruginosa R2 Pyocin Fiber PA0620 Comprising C- Terminal Residues 323-691


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of P. Aeruginosa R2 Pyocin Fiber PA0620 Comprising C- Terminal Residues 323-691 within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg701 b:26.3 occ:1.00 O E:HOH839 2.0 24.4 1.0 O D:HOH815 2.1 18.5 1.0 O E:HOH1079 2.1 21.1 1.0 O D:HOH1029 2.1 19.9 1.0 O F:HOH833 2.2 19.8 1.0 O F:HOH1006 2.2 22.7 1.0 OD2 E:ASP613 3.7 34.1 1.0 O D:HOH1211 3.8 36.1 1.0 O E:HOH1026 3.9 45.8 1.0 O E:VAL597 3.9 30.6 1.0 OD2 D:ASP613 3.9 32.8 1.0 OD2 F:ASP613 3.9 23.9 1.0 O D:VAL597 4.0 26.6 1.0 O E:HOH1020 4.1 39.9 1.0 O F:VAL597 4.1 29.5 1.0 O E:HOH866 4.3 26.5 1.0 HA3 E:GLY596 4.3 32.4 1.0 O D:HOH1009 4.4 30.0 1.0 HA3 F:GLY596 4.6 32.2 1.0 O F:HOH1018 4.7 27.6 1.0 HA3 D:GLY596 4.7 33.4 1.0 H D:ALA599 4.7 32.2 1.0 H E:ALA599 4.7 31.4 1.0 CG E:ASP613 4.8 31.9 1.0 HA D:PRO598 4.8 29.9 1.0 HA E:PRO598 4.9 38.2 1.0 H F:ALA599 4.9 33.9 1.0 HA F:PRO598 5.0 33.3 1.0 C E:VAL597 5.0 35.7 1.0

S.A.Buth, M.M.Shneider, D.Scholl, P.G.Leiman. Structure and Analysis of R1 and R2 Pyocin Receptor-Binding Fibers. Viruses V. 10 2018.
ISSN: ISSN 1999-4915
PubMed: 30110933
DOI: 10.3390/V10080427