Iron 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:

Magnesium	(Mg)	2 atoms
Sodium	(Na)	6 atoms

The binding sites of Iron 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 Iron atom.
In total 2 binding sites of Iron where determined in the Structure of P. Aeruginosa R1 Pyocin Fiber PALES_06171 Comprising C- Terminal Residues 323-701, PDB code: 6cl5:
Jump to Iron binding site number: 1; 2;

Iron 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 Iron with other atoms in the Fe 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:Fe801 b:81.0 occ:1.00 HE2 B:HIS563 1.6 0.3 1.0 NE2 A:HIS563 2.1 0.0 1.0 NE2 A:HIS561 2.1 0.9 1.0 NE2 C:HIS563 2.1 0.3 1.0 NE2 B:HIS561 2.1 0.3 1.0 NE2 C:HIS561 2.2 83.9 1.0 NE2 B:HIS563 2.3 96.0 1.0 CE1 B:HIS561 2.9 99.8 1.0 CE1 A:HIS561 2.9 95.6 1.0 CE1 A:HIS563 3.0 0.1 1.0 CE1 C:HIS563 3.0 96.9 1.0 HE1 B:HIS561 3.0 0.8 1.0 HE1 A:HIS561 3.0 0.8 1.0 HE1 C:HIS563 3.1 1.0 1.0 HE1 A:HIS563 3.1 0.0 1.0 CE1 C:HIS561 3.1 86.5 1.0 HE1 C:HIS561 3.2 0.9 1.0 CD2 A:HIS563 3.2 98.9 1.0 CE1 B:HIS563 3.2 92.6 1.0 CD2 C:HIS563 3.2 97.1 1.0 CD2 A:HIS561 3.2 0.6 1.0 CD2 B:HIS561 3.3 94.7 1.0 CD2 C:HIS561 3.3 82.0 1.0 HE1 B:HIS563 3.3 0.2 1.0 CD2 B:HIS563 3.4 94.6 1.0 HD2 A:HIS563 3.4 0.4 1.0 HD2 C:HIS563 3.5 0.2 1.0 HD2 A:HIS561 3.5 0.6 1.0 HD2 C:HIS561 3.5 98.4 1.0 HD2 B:HIS561 3.5 0.7 1.0 HD2 B:HIS563 3.6 0.6 1.0 ND1 B:HIS561 4.1 0.8 1.0 ND1 A:HIS561 4.1 95.8 1.0 ND1 C:HIS563 4.1 96.8 1.0 ND1 A:HIS563 4.1 99.2 1.0 ND1 C:HIS561 4.2 84.0 1.0 CG A:HIS563 4.3 0.1 1.0 CG C:HIS563 4.3 96.9 1.0 CG A:HIS561 4.3 0.1 1.0 CG B:HIS561 4.3 88.3 1.0 ND1 B:HIS563 4.3 0.1 1.0 CG C:HIS561 4.4 77.9 1.0 CG B:HIS563 4.5 96.7 1.0 HD1 B:HIS561 4.8 0.2 1.0 HD1 A:HIS561 4.8 1.0 1.0 HD1 C:HIS563 4.9 0.8 1.0 HD1 A:HIS563 4.9 0.7 1.0 HD1 C:HIS561 5.0 0.8 1.0

Iron 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 Iron with other atoms in the Fe 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:Fe801 b:68.7 occ:1.00 NE2 D:HIS563 2.0 83.8 1.0 NE2 F:HIS563 2.1 80.0 1.0 NE2 F:HIS561 2.2 70.6 1.0 NE2 E:HIS561 2.2 74.6 1.0 NE2 D:HIS561 2.2 90.1 1.0 NE2 E:HIS563 2.2 76.9 1.0 CE1 D:HIS563 3.0 77.0 1.0 CE1 E:HIS563 3.0 71.1 1.0 CE1 E:HIS561 3.0 74.8 1.0 CD2 D:HIS563 3.0 74.5 1.0 CE1 F:HIS563 3.0 72.7 1.0 HE1 E:HIS563 3.1 85.4 1.0 CE1 D:HIS561 3.1 82.5 1.0 CE1 F:HIS561 3.1 71.0 1.0 HE1 E:HIS561 3.1 89.8 1.0 CD2 F:HIS563 3.1 78.7 1.0 HE1 D:HIS563 3.1 92.5 1.0 HE1 D:HIS561 3.2 99.1 1.0 CD2 F:HIS561 3.2 66.5 1.0 HE1 F:HIS561 3.2 85.2 1.0 HE1 F:HIS563 3.2 87.3 1.0 HD2 D:HIS563 3.2 89.1 1.0 CD2 D:HIS561 3.3 90.6 1.0 CD2 E:HIS561 3.3 79.3 1.0 HD2 F:HIS563 3.3 94.5 1.0 CD2 E:HIS563 3.4 70.5 1.0 HD2 F:HIS561 3.4 79.8 1.0 HD2 D:HIS561 3.5 0.8 1.0 HD2 E:HIS561 3.5 95.2 1.0 HD2 E:HIS563 3.6 84.6 1.0 ND1 D:HIS563 4.1 75.8 1.0 ND1 F:HIS563 4.2 81.4 1.0 CG D:HIS563 4.2 77.7 1.0 ND1 E:HIS561 4.2 78.8 1.0 ND1 E:HIS563 4.2 75.9 1.0 ND1 D:HIS561 4.2 82.2 1.0 ND1 F:HIS561 4.2 68.7 1.0 CG F:HIS563 4.2 77.6 1.0 CG F:HIS561 4.3 70.0 1.0 CG E:HIS561 4.3 80.3 1.0 CG D:HIS561 4.3 95.2 1.0 CG E:HIS563 4.4 71.4 1.0 HD1 D:HIS563 4.9 91.1 1.0 HD1 E:HIS561 4.9 94.6 1.0 HD1 F:HIS563 4.9 97.8 1.0 HD1 E:HIS563 4.9 91.1 1.0 HD1 D:HIS561 4.9 98.7 1.0 HD1 F:HIS561 5.0 82.5 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