Iron 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:

Magnesium	(Mg)	2 atoms
Calcium	(Ca)	6 atoms

The binding sites of Iron 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 Iron atom.
In total 2 binding sites of Iron where determined in the Structure of P. Aeruginosa R2 Pyocin Fiber PA0620 Comprising C- Terminal Residues 323-691, PDB code: 6cl6:
Jump to Iron binding site number: 1; 2;

Iron 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 Iron with other atoms in the Fe 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:Fe701 b:40.4 occ:1.00 NE2 A:HIS562 2.2 31.4 1.0 NE2 A:HIS564 2.2 31.5 1.0 NE2 B:HIS562 2.2 35.3 1.0 NE2 C:HIS564 2.2 29.6 1.0 NE2 B:HIS564 2.3 31.5 1.0 NE2 C:HIS562 2.3 36.5 1.0 CD2 A:HIS564 3.1 33.4 1.0 CD2 C:HIS564 3.1 38.7 1.0 CE1 A:HIS562 3.1 26.9 1.0 CE1 B:HIS562 3.1 35.6 1.0 CE1 C:HIS562 3.2 31.6 1.0 HD2 C:HIS564 3.2 46.5 1.0 HD2 A:HIS564 3.2 40.0 1.0 CD2 A:HIS562 3.2 38.5 1.0 CD2 B:HIS564 3.2 31.8 1.0 CD2 B:HIS562 3.2 41.9 1.0 HE1 B:HIS562 3.3 42.7 1.0 CE1 B:HIS564 3.3 41.3 1.0 CE1 A:HIS564 3.3 45.4 1.0 HE1 C:HIS562 3.3 37.9 1.0 CD2 C:HIS562 3.3 40.5 1.0 HE1 A:HIS562 3.3 32.2 1.0 HD2 B:HIS564 3.3 38.1 1.0 CE1 C:HIS564 3.3 37.1 1.0 HD2 A:HIS562 3.3 46.2 1.0 HD2 B:HIS562 3.4 50.3 1.0 HE1 B:HIS564 3.5 49.6 1.0 HD2 C:HIS562 3.5 48.6 1.0 HE1 A:HIS564 3.5 54.5 1.0 HE1 C:HIS564 3.5 44.5 1.0 ND1 A:HIS562 4.2 29.5 1.0 ND1 B:HIS562 4.3 33.5 1.0 CG A:HIS564 4.3 46.3 1.0 ND1 C:HIS562 4.3 30.1 1.0 CG C:HIS564 4.3 33.6 1.0 CG A:HIS562 4.3 43.4 1.0 ND1 A:HIS564 4.3 40.8 1.0 CG B:HIS562 4.3 32.7 1.0 CG B:HIS564 4.3 41.2 1.0 ND1 B:HIS564 4.4 33.4 1.0 ND1 C:HIS564 4.4 31.8 1.0 CG C:HIS562 4.4 39.1 1.0

Iron 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 Iron with other atoms in the Fe 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 D:Fe701 b:33.2 occ:1.00 NE2 E:HIS562 2.0 30.8 1.0 NE2 D:HIS564 2.2 44.9 1.0 NE2 F:HIS564 2.2 45.6 1.0 NE2 E:HIS564 2.2 26.5 1.0 NE2 D:HIS562 2.3 32.5 1.0 NE2 F:HIS562 2.3 36.1 1.0 CE1 E:HIS562 3.0 41.5 1.0 CD2 E:HIS562 3.1 35.9 1.0 CD2 E:HIS564 3.1 31.0 1.0 CD2 D:HIS564 3.1 37.8 1.0 HE1 E:HIS562 3.1 49.8 1.0 HD2 E:HIS564 3.2 37.2 1.0 CD2 F:HIS564 3.2 40.8 1.0 CE1 D:HIS562 3.2 29.4 1.0 CE1 F:HIS562 3.2 49.1 1.0 HD2 D:HIS564 3.2 45.3 1.0 CE1 F:HIS564 3.2 37.7 1.0 CE1 D:HIS564 3.2 46.6 1.0 CD2 D:HIS562 3.3 28.1 1.0 CD2 F:HIS562 3.3 48.0 1.0 HD2 E:HIS562 3.3 43.0 1.0 CE1 E:HIS564 3.3 45.7 1.0 HD2 F:HIS564 3.3 49.0 1.0 HE1 D:HIS562 3.3 35.2 1.0 HE1 F:HIS562 3.4 59.0 1.0 HE1 F:HIS564 3.4 45.2 1.0 HD2 D:HIS562 3.4 33.8 1.0 HE1 D:HIS564 3.5 56.0 1.0 HD2 F:HIS562 3.5 57.6 1.0 HE1 E:HIS564 3.6 54.9 1.0 ND1 E:HIS562 4.1 31.1 1.0 CG E:HIS562 4.2 25.5 1.0 CG E:HIS564 4.3 36.9 1.0 CG D:HIS564 4.3 51.9 1.0 ND1 D:HIS562 4.3 27.8 1.0 ND1 D:HIS564 4.3 46.2 1.0 ND1 F:HIS564 4.3 36.0 1.0 CG F:HIS564 4.3 39.0 1.0 ND1 F:HIS562 4.3 37.7 1.0 ND1 E:HIS564 4.3 35.1 1.0 CG D:HIS562 4.4 36.7 1.0 CG F:HIS562 4.4 43.8 1.0 HD1 E:HIS562 4.8 37.3 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