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

Protein crystallography data

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

Other elements in 6cl6:

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

Iron Binding Sites:

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 6cl6

Go back to Iron Binding Sites List in 6cl6
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 6cl6

Go back to Iron Binding Sites List in 6cl6
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

Reference:

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
Page generated: Sun Dec 13 16:23:21 2020

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