Iron in PDB 4xzd: Crystal Structure of Wild-Type Hasa From Yersinia Pseudotuberculosis

The structure of Crystal Structure of Wild-Type Hasa From Yersinia Pseudotuberculosis, PDB code: 4xzd was solved by M.Kanadani, T.Hino, S.Nagano, T.Sato, S.Ozaki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.66 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.740, 53.250, 82.580, 90.00, 99.95, 90.00
R / Rfree (%)	17.5 / 22.1

The binding sites of Iron atom in the Crystal Structure of Wild-Type Hasa From Yersinia Pseudotuberculosis (pdb code 4xzd). 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 Wild-Type Hasa From Yersinia Pseudotuberculosis, PDB code: 4xzd:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Wild-Type Hasa From Yersinia Pseudotuberculosis


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 Wild-Type Hasa From Yersinia Pseudotuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:13.0 occ:1.00 FE A:HEM301 0.0 13.0 1.0 ND A:HEM301 2.0 12.2 1.0 NA A:HEM301 2.0 14.8 1.0 NB A:HEM301 2.1 14.4 1.0 NC A:HEM301 2.1 7.6 1.0 OH A:TYR75 2.2 14.6 1.0 O A:HOH562 2.7 28.5 1.0 CZ A:TYR75 3.0 11.0 1.0 C1D A:HEM301 3.0 18.1 1.0 C4A A:HEM301 3.0 13.9 1.0 C4D A:HEM301 3.0 15.5 1.0 C1A A:HEM301 3.0 17.9 1.0 C4C A:HEM301 3.1 10.3 1.0 C1B A:HEM301 3.1 14.9 1.0 C4B A:HEM301 3.1 9.0 1.0 C1C A:HEM301 3.1 11.8 1.0 CHB A:HEM301 3.4 15.8 1.0 CHD A:HEM301 3.4 12.0 1.0 CHA A:HEM301 3.4 18.4 1.0 CHC A:HEM301 3.5 7.8 1.0 CE1 A:TYR75 3.7 6.7 1.0 CE2 A:TYR75 3.8 11.6 1.0 ND1 A:HIS81 3.8 14.9 1.0 C3D A:HEM301 4.3 18.3 1.0 C2D A:HEM301 4.3 15.2 1.0 C3A A:HEM301 4.3 17.3 1.0 C2A A:HEM301 4.3 19.5 1.0 O A:HOH583 4.3 25.7 1.0 C3C A:HEM301 4.3 11.7 1.0 C2C A:HEM301 4.3 11.5 1.0 C2B A:HEM301 4.3 12.7 1.0 C3B A:HEM301 4.3 11.4 1.0 O A:HOH561 4.4 21.6 1.0 CG A:HIS81 4.6 15.3 1.0 CB A:HIS81 4.6 14.5 1.0 CE1 A:HIS81 4.7 16.7 1.0 NH1 A:ARG40 4.7 18.8 1.0 CD1 A:TYR75 4.9 6.8 1.0 CD2 A:TYR75 4.9 8.5 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Wild-Type Hasa From Yersinia Pseudotuberculosis


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 Wild-Type Hasa From Yersinia Pseudotuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe301 b:16.2 occ:1.00 FE D:HEM301 0.0 16.2 1.0 NC D:HEM301 2.1 12.8 1.0 NA D:HEM301 2.1 13.4 1.0 NB D:HEM301 2.1 14.2 1.0 OH D:TYR75 2.1 16.5 1.0 ND D:HEM301 2.1 13.9 1.0 O D:HOH544 2.7 22.8 1.0 CZ D:TYR75 2.9 13.9 1.0 C4A D:HEM301 3.0 20.0 1.0 C4C D:HEM301 3.1 13.3 1.0 C1C D:HEM301 3.1 15.5 1.0 C1B D:HEM301 3.1 14.7 1.0 C1D D:HEM301 3.1 17.7 1.0 C4B D:HEM301 3.1 10.9 1.0 C1A D:HEM301 3.1 16.5 1.0 C4D D:HEM301 3.1 13.8 1.0 CHB D:HEM301 3.4 18.2 1.0 CHD D:HEM301 3.4 13.6 1.0 CHC D:HEM301 3.5 10.0 1.0 CHA D:HEM301 3.5 14.1 1.0 CE1 D:TYR75 3.6 11.6 1.0 CE2 D:TYR75 3.7 10.8 1.0 ND1 D:HIS81 3.8 15.6 1.0 C3C D:HEM301 4.3 12.9 1.0 C3A D:HEM301 4.3 13.7 1.0 C2C D:HEM301 4.3 10.2 1.0 C2B D:HEM301 4.3 12.3 1.0 C3B D:HEM301 4.3 11.3 1.0 C2A D:HEM301 4.3 13.1 1.0 C2D D:HEM301 4.3 19.2 1.0 C3D D:HEM301 4.4 21.9 1.0 O D:HOH557 4.4 22.9 1.0 O D:HOH511 4.5 18.8 1.0 CE1 D:HIS81 4.6 21.8 1.0 CG D:HIS81 4.6 20.0 1.0 CB D:HIS81 4.7 15.6 1.0 NH1 D:ARG40 4.8 20.6 1.0 CD1 D:TYR75 4.8 14.7 1.0 CD2 D:TYR75 4.9 10.0 1.0

M.Kanadani, T.Sato, T.Hino, S.Nagano, S.Ozaki. The Crystal Structure of Heme Acquisition System A From Yersinia Pseudotuberculosis (Hasaypt): Roles of the Axial Ligand TYR75 and Two Distal Arginines in Heme Binding J.Inorg.Biochem. V. 151 26 2015.
ISSN: ISSN 0162-0134
PubMed: 26210321
DOI: 10.1016/J.JINORGBIO.2015.07.007