Iron in PDB 8ki1: Crystal Structure of the Holo Form of the Hemophore Hasa From Pseudomonas Protegens Pf-5

The structure of Crystal Structure of the Holo Form of the Hemophore Hasa From Pseudomonas Protegens Pf-5, PDB code: 8ki1 was solved by Y.Shisaka, H.Inaba, H.Sugimoto, O.Shoji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	99.597, 99.597, 90.473, 90, 90, 120
R / Rfree (%)	15.8 / 19.3

The binding sites of Iron atom in the Crystal Structure of the Holo Form of the Hemophore Hasa From Pseudomonas Protegens Pf-5 (pdb code 8ki1). 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 the Holo Form of the Hemophore Hasa From Pseudomonas Protegens Pf-5, PDB code: 8ki1:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Holo Form of the Hemophore Hasa From Pseudomonas Protegens Pf-5


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 the Holo Form of the Hemophore Hasa From Pseudomonas Protegens Pf-5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:21.4 occ:1.00 FE A:HEM201 0.0 21.4 1.0 ND A:HEM201 1.9 22.9 1.0 NE2 A:HIS32 2.0 19.6 1.0 NA A:HEM201 2.0 21.7 1.0 OH A:TYR75 2.0 21.9 1.0 NC A:HEM201 2.1 18.9 1.0 NB A:HEM201 2.1 23.2 1.0 C1D A:HEM201 2.9 20.5 1.0 CZ A:TYR75 2.9 18.4 1.0 CE1 A:HIS32 3.0 21.2 1.0 C4D A:HEM201 3.0 22.2 1.0 C1A A:HEM201 3.0 23.3 1.0 C4C A:HEM201 3.0 23.5 1.0 CD2 A:HIS32 3.0 20.0 1.0 C4A A:HEM201 3.0 23.5 1.0 C4B A:HEM201 3.0 21.7 1.0 C1B A:HEM201 3.0 22.4 1.0 C1C A:HEM201 3.1 20.9 1.0 CHD A:HEM201 3.3 20.3 1.0 CHA A:HEM201 3.4 21.9 1.0 CHB A:HEM201 3.4 21.5 1.0 CHC A:HEM201 3.5 19.5 1.0 CE1 A:TYR75 3.6 18.3 1.0 CE2 A:TYR75 3.7 18.7 1.0 ND1 A:HIS83 3.9 21.8 1.0 ND1 A:HIS32 4.1 20.4 1.0 CG A:HIS32 4.1 21.2 1.0 C2A A:HEM201 4.2 27.6 1.0 C3A A:HEM201 4.2 25.5 1.0 C2D A:HEM201 4.2 20.8 1.0 C3D A:HEM201 4.2 23.3 1.0 C3C A:HEM201 4.3 20.8 1.0 C2B A:HEM201 4.3 20.6 1.0 C3B A:HEM201 4.3 21.1 1.0 C2C A:HEM201 4.3 19.2 1.0 CG A:HIS83 4.6 23.3 1.0 CE1 A:HIS83 4.7 28.3 1.0 CB A:HIS83 4.7 23.8 1.0 CD1 A:TYR75 4.8 17.6 1.0 CD2 A:TYR75 4.9 19.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Holo Form of the Hemophore Hasa From Pseudomonas Protegens Pf-5


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 the Holo Form of the Hemophore Hasa From Pseudomonas Protegens Pf-5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:20.5 occ:1.00 FE B:HEM201 0.0 20.5 1.0 ND B:HEM201 1.9 21.6 1.0 NA B:HEM201 2.0 20.0 1.0 NE2 B:HIS32 2.0 21.4 1.0 NC B:HEM201 2.0 17.4 1.0 OH B:TYR75 2.1 20.1 1.0 NB B:HEM201 2.1 20.9 1.0 C1D B:HEM201 2.9 19.9 1.0 C4D B:HEM201 2.9 23.3 1.0 CZ B:TYR75 3.0 19.7 1.0 CE1 B:HIS32 3.0 23.1 1.0 CD2 B:HIS32 3.0 20.6 1.0 C1A B:HEM201 3.0 20.5 1.0 C4C B:HEM201 3.0 20.6 1.0 C4B B:HEM201 3.0 21.2 1.0 C4A B:HEM201 3.0 22.8 1.0 C1B B:HEM201 3.1 21.5 1.0 C1C B:HEM201 3.1 20.6 1.0 CHD B:HEM201 3.4 21.4 1.0 CHA B:HEM201 3.4 20.5 1.0 CHC B:HEM201 3.4 18.7 1.0 CHB B:HEM201 3.4 19.8 1.0 CE1 B:TYR75 3.7 19.0 1.0 CE2 B:TYR75 3.8 20.0 1.0 ND1 B:HIS83 3.9 20.7 1.0 ND1 B:HIS32 4.1 22.7 1.0 CG B:HIS32 4.1 20.4 1.0 C2D B:HEM201 4.2 21.5 1.0 C3D B:HEM201 4.2 23.5 1.0 C2A B:HEM201 4.2 23.2 1.0 C3C B:HEM201 4.2 20.2 1.0 C3A B:HEM201 4.2 20.5 1.0 C2C B:HEM201 4.3 17.7 1.0 C3B B:HEM201 4.3 18.1 1.0 C2B B:HEM201 4.3 19.2 1.0 CG B:HIS83 4.6 22.2 1.0 CE1 B:HIS83 4.7 26.1 1.0 CB B:HIS83 4.7 22.1 1.0 CD1 B:TYR75 4.9 17.4 1.0 CD2 B:TYR75 5.0 21.5 1.0

H.Inaba, Y.Shisaka, S.Ariyasu, E.Sakakibara, G.Ueda, Y.Aiba, N.Shimizu, H.Sugimoto, O.Shoji. Heme-Substituted Protein Assembly Bridged By Synthetic Porphyrin: Achieving Controlled Configuration While Maintaining Rotational Freedom Rsc Adv V. 14 8829 2024.
ISSN: ESSN 2046-2069
DOI: 10.1039/D4RA01042F