Magnesium in PDB 6cl5: Structure of P. Aeruginosa R1 Pyocin Fiber PALES_06171 Comprising C- Terminal Residues 323-701

The structure of Structure of P. Aeruginosa R1 Pyocin Fiber PALES_06171 Comprising C- Terminal Residues 323-701, PDB code: 6cl5 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)	47.69 / 2.32
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	144.504, 155.031, 200.481, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 20.6

The structure of Structure of P. Aeruginosa R1 Pyocin Fiber PALES_06171 Comprising C- Terminal Residues 323-701 also contains other interesting chemical elements:

Iron	(Fe)	2 atoms
Sodium	(Na)	6 atoms

The binding sites of Magnesium atom in the Structure of P. Aeruginosa R1 Pyocin Fiber PALES_06171 Comprising C- Terminal Residues 323-701 (pdb code 6cl5). 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 R1 Pyocin Fiber PALES_06171 Comprising C- Terminal Residues 323-701, PDB code: 6cl5:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of P. Aeruginosa R1 Pyocin Fiber PALES_06171 Comprising C- Terminal Residues 323-701


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 R1 Pyocin Fiber PALES_06171 Comprising C- Terminal Residues 323-701 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg802 b:0.5 occ:1.00 O A:HOH970 2.0 85.6 1.0 O C:HOH1045 2.1 86.3 1.0 O B:HOH982 2.2 0.9 1.0 O B:HOH904 2.2 68.0 1.0 O C:HOH901 2.2 0.7 1.0 O A:HOH901 2.3 61.1 1.0 OD2 A:ASP612 3.7 89.3 1.0 OD2 C:ASP612 3.7 0.0 1.0 OD2 B:ASP612 3.8 0.8 1.0 O A:VAL596 4.0 91.0 1.0 O B:VAL596 4.1 0.5 1.0 O C:VAL596 4.2 0.7 1.0 O C:HOH959 4.3 59.1 1.0 O A:HOH1027 4.5 60.3 1.0 HA B:PRO597 4.6 0.1 1.0 OD1 B:ASP610 4.6 98.8 1.0 HA3 A:GLY595 4.7 0.5 1.0 HA C:PRO597 4.7 0.6 1.0 HA3 B:GLY595 4.7 0.3 1.0 CG A:ASP612 4.8 83.0 1.0 HA A:PRO597 4.8 0.6 1.0 CG C:ASP612 4.8 0.6 1.0 HA3 C:GLY595 4.8 0.3 1.0 OD1 A:ASP610 4.8 91.5 1.0 CG B:ASP612 4.8 0.8 1.0 OD1 C:ASP610 5.0 0.1 1.0

Magnesium binding site 2 out of 2 in the Structure of P. Aeruginosa R1 Pyocin Fiber PALES_06171 Comprising C- Terminal Residues 323-701


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 R1 Pyocin Fiber PALES_06171 Comprising C- Terminal Residues 323-701 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg802 b:89.8 occ:1.00 O D:HOH938 2.1 56.9 1.0 O E:HOH909 2.1 45.9 1.0 O F:HOH944 2.2 83.2 1.0 O F:HOH907 2.2 76.6 1.0 O D:HOH903 2.2 57.0 1.0 O E:HOH908 2.2 70.0 1.0 OD2 E:ASP612 3.7 91.2 1.0 OD2 D:ASP612 3.7 68.5 1.0 OD2 F:ASP612 3.8 90.5 1.0 O E:HOH1005 3.9 62.4 1.0 O D:VAL596 4.2 62.3 1.0 O E:VAL596 4.2 83.0 1.0 O F:VAL596 4.2 78.1 1.0 O D:HOH998 4.3 58.9 1.0 O F:HOH989 4.3 69.4 1.0 OD1 D:ASP610 4.6 88.6 1.0 OD1 F:ASP610 4.6 0.6 1.0 OD1 E:ASP610 4.7 73.4 1.0 HA E:PRO597 4.7 0.2 1.0 HA F:PRO597 4.7 93.5 1.0 HA D:PRO597 4.8 99.4 1.0 CG E:ASP612 4.8 90.5 1.0 CG D:ASP612 4.9 71.6 1.0 HB2 E:ALA598 4.9 94.7 1.0 CG F:ASP612 4.9 89.0 1.0 HA3 E:GLY595 4.9 0.4 1.0 HB2 F:ALA598 5.0 91.8 1.0 HB2 D:ALA598 5.0 74.0 1.0 HA3 D:GLY595 5.0 0.4 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