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Iron in PDB 4mf9: Crystal Structure of Holo-Phus, A Heme-Binding Protein From Pseudomonas Aeruginosa

Protein crystallography data

The structure of Crystal Structure of Holo-Phus, A Heme-Binding Protein From Pseudomonas Aeruginosa, PDB code: 4mf9 was solved by M.J.Y.Lee, Z.Jia, Montreal-Kingston Bacterial Structural Genomicsinitiative (Bsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.71 / 1.95
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 187.000, 187.000, 42.600, 90.00, 90.00, 90.00
R / Rfree (%) 19.8 / 23.4

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Holo-Phus, A Heme-Binding Protein From Pseudomonas Aeruginosa (pdb code 4mf9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Holo-Phus, A Heme-Binding Protein From Pseudomonas Aeruginosa, PDB code: 4mf9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 4mf9

Go back to Iron Binding Sites List in 4mf9
Iron binding site 1 out of 2 in the Crystal Structure of Holo-Phus, A Heme-Binding Protein From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Holo-Phus, A Heme-Binding Protein From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe400

b:33.9
occ:1.00
FE A:HEM400 0.0 33.9 1.0
ND A:HEM400 1.8 30.1 1.0
NA A:HEM400 2.0 29.9 1.0
NC A:HEM400 2.1 30.1 1.0
NB A:HEM400 2.1 33.2 1.0
NE2 A:HIS209 2.3 33.0 1.0
O A:HOH689 2.8 32.4 1.0
C4D A:HEM400 2.8 30.2 1.0
C1D A:HEM400 2.8 32.5 1.0
C4C A:HEM400 3.0 29.1 1.0
C1A A:HEM400 3.0 31.9 1.0
C4B A:HEM400 3.1 32.0 1.0
C1B A:HEM400 3.1 36.3 1.0
C1C A:HEM400 3.1 26.7 1.0
CE1 A:HIS209 3.1 34.5 1.0
C4A A:HEM400 3.1 31.9 1.0
CHD A:HEM400 3.3 28.8 1.0
CHA A:HEM400 3.3 28.7 1.0
CD2 A:HIS209 3.4 31.3 1.0
CHC A:HEM400 3.4 26.8 1.0
CHB A:HEM400 3.5 33.9 1.0
NE A:ARG112 4.0 23.2 1.0
C3D A:HEM400 4.1 28.5 1.0
C2D A:HEM400 4.1 30.7 1.0
C3C A:HEM400 4.1 31.9 1.0
C2C A:HEM400 4.2 29.5 1.0
C2A A:HEM400 4.2 28.0 1.0
NH2 A:ARG112 4.2 22.2 1.0
C3A A:HEM400 4.3 29.1 1.0
C2B A:HEM400 4.3 35.0 1.0
ND1 A:HIS209 4.3 34.2 1.0
C3B A:HEM400 4.3 36.8 1.0
CG A:HIS209 4.5 32.9 1.0
CZ A:ARG112 4.6 23.6 1.0
CD A:ARG112 4.9 19.6 1.0
CE2 A:PHE259 5.0 15.4 1.0
O A:HOH694 5.0 31.1 1.0

Iron binding site 2 out of 2 in 4mf9

Go back to Iron Binding Sites List in 4mf9
Iron binding site 2 out of 2 in the Crystal Structure of Holo-Phus, A Heme-Binding Protein From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Holo-Phus, A Heme-Binding Protein From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe400

b:34.5
occ:1.00
FE B:HEM400 0.0 34.5 1.0
ND B:HEM400 1.9 31.4 1.0
NA B:HEM400 2.0 29.7 1.0
NC B:HEM400 2.1 30.8 1.0
NB B:HEM400 2.1 32.9 1.0
O B:HOH558 2.3 25.3 1.0
NE2 B:HIS209 2.4 30.7 1.0
C4D B:HEM400 2.8 25.6 1.0
C1D B:HEM400 2.9 32.4 1.0
C1A B:HEM400 3.0 27.6 1.0
C4C B:HEM400 3.0 30.1 1.0
C4A B:HEM400 3.1 29.5 1.0
C1B B:HEM400 3.1 32.1 1.0
C4B B:HEM400 3.1 32.7 1.0
C1C B:HEM400 3.1 30.8 1.0
CE1 B:HIS209 3.2 35.2 1.0
CHA B:HEM400 3.3 25.0 1.0
CHD B:HEM400 3.3 27.7 1.0
CHB B:HEM400 3.4 32.6 1.0
CHC B:HEM400 3.5 28.7 1.0
CD2 B:HIS209 3.5 31.6 1.0
C3D B:HEM400 4.1 24.4 1.0
C2D B:HEM400 4.1 27.3 1.0
C2A B:HEM400 4.2 24.7 1.0
C3C B:HEM400 4.2 31.7 1.0
C3A B:HEM400 4.2 26.1 1.0
C2C B:HEM400 4.2 30.6 1.0
C2B B:HEM400 4.3 31.5 1.0
NH1 B:ARG112 4.3 18.0 1.0
C3B B:HEM400 4.3 32.1 1.0
ND1 B:HIS209 4.4 36.6 1.0
CD B:ARG112 4.4 20.3 1.0
CG B:HIS209 4.6 30.9 1.0

Reference:

M.J.Lee, D.Schep, B.Mclaughlin, M.Kaufmann, Z.Jia. Structural Analysis and Identification of Phus As A Heme-Degrading Enzyme From Pseudomonas Aeruginosa. J.Mol.Biol. V. 426 1936 2014.
ISSN: ISSN 0022-2836
PubMed: 24560694
DOI: 10.1016/J.JMB.2014.02.013
Page generated: Mon Aug 5 06:54:05 2024

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