Iron in PDB 8ki0: Crystal Structure of the Hemophore Hasa From Pseudomonas Protegens Pf- 5 Capturing Fe-Tetraphenylporphyrin

The structure of Crystal Structure of the Hemophore Hasa From Pseudomonas Protegens Pf- 5 Capturing Fe-Tetraphenylporphyrin, PDB code: 8ki0 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)	39.68 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	33.561, 158.717, 33.534, 90, 97.58, 90
R / Rfree (%)	11.9 / 15.2

The structure of Crystal Structure of the Hemophore Hasa From Pseudomonas Protegens Pf- 5 Capturing Fe-Tetraphenylporphyrin also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iron atom in the Crystal Structure of the Hemophore Hasa From Pseudomonas Protegens Pf- 5 Capturing Fe-Tetraphenylporphyrin (pdb code 8ki0). 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 Hemophore Hasa From Pseudomonas Protegens Pf- 5 Capturing Fe-Tetraphenylporphyrin, PDB code: 8ki0:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Hemophore Hasa From Pseudomonas Protegens Pf- 5 Capturing Fe-Tetraphenylporphyrin


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 Hemophore Hasa From Pseudomonas Protegens Pf- 5 Capturing Fe-Tetraphenylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:7.4 occ:1.00 FE A:MQP201 0.0 7.4 1.0 NAS A:MQP201 2.0 7.4 1.0 NAI A:MQP201 2.0 7.7 1.0 NAX A:MQP201 2.1 7.3 1.0 NE2 A:HIS32 2.1 7.2 1.0 OH A:TYR75 2.1 8.1 1.0 NAN A:MQP201 2.1 7.3 1.0 CZ A:TYR75 3.0 7.2 1.0 CAE A:MQP201 3.0 7.7 1.0 CAO A:MQP201 3.0 7.3 1.0 CAR A:MQP201 3.0 7.8 1.0 CD2 A:HIS32 3.0 7.1 1.0 CAW A:MQP201 3.1 7.3 1.0 CAH A:MQP201 3.1 7.5 1.0 CAT A:MQP201 3.1 7.3 1.0 CE1 A:HIS32 3.1 7.8 1.0 CAJ A:MQP201 3.1 7.4 1.0 CAM A:MQP201 3.1 7.5 1.0 CAD A:MQP201 3.4 7.8 1.0 CAC A:MQP201 3.4 7.5 1.0 CAB A:MQP201 3.4 7.9 1.0 CAA A:MQP201 3.4 7.9 1.0 CE1 A:TYR75 3.7 7.5 1.0 CE2 A:TYR75 3.8 7.9 1.0 ND1 A:HIS83 4.0 9.7 1.0 ND1 A:HIS32 4.2 8.1 1.0 CAF A:MQP201 4.2 7.7 1.0 CAP A:MQP201 4.2 7.2 1.0 CG A:HIS32 4.2 7.2 1.0 CAQ A:MQP201 4.2 7.5 1.0 CAG A:MQP201 4.2 8.0 1.0 CAV A:MQP201 4.2 8.2 1.0 CAU A:MQP201 4.2 7.1 1.0 CAK A:MQP201 4.2 7.9 1.0 CAL A:MQP201 4.2 7.5 1.0 CG A:HIS83 4.8 8.4 1.0 CB A:HIS83 4.8 8.9 1.0 CE1 A:HIS83 4.9 9.0 1.0 CBQ A:MQP201 4.9 8.4 1.0 CBK A:MQP201 4.9 7.7 1.0 CBE A:MQP201 4.9 8.2 1.0 CD1 A:TYR75 4.9 7.9 1.0 CD2 A:TYR75 4.9 7.5 1.0 CAY A:MQP201 4.9 7.9 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Hemophore Hasa From Pseudomonas Protegens Pf- 5 Capturing Fe-Tetraphenylporphyrin


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 Hemophore Hasa From Pseudomonas Protegens Pf- 5 Capturing Fe-Tetraphenylporphyrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:8.2 occ:1.00 FE B:MQP201 0.0 8.2 1.0 NAS B:MQP201 2.0 7.9 1.0 NE2 B:HIS32 2.0 7.8 1.0 NAI B:MQP201 2.0 7.5 1.0 OH B:TYR75 2.1 6.9 1.0 NAX B:MQP201 2.1 7.6 1.0 NAN B:MQP201 2.1 7.6 1.0 CZ B:TYR75 3.0 6.9 1.0 CE1 B:HIS32 3.0 8.0 1.0 CAR B:MQP201 3.0 7.9 1.0 CAO B:MQP201 3.0 7.6 1.0 CD2 B:HIS32 3.0 7.7 1.0 CAT B:MQP201 3.1 7.9 1.0 CAH B:MQP201 3.1 8.3 1.0 CAE B:MQP201 3.1 7.8 1.0 CAM B:MQP201 3.1 8.0 1.0 CAJ B:MQP201 3.1 7.5 1.0 CAW B:MQP201 3.1 8.0 1.0 CAC B:MQP201 3.4 7.8 1.0 CAB B:MQP201 3.4 7.9 1.0 CAA B:MQP201 3.4 7.7 1.0 CAD B:MQP201 3.4 7.9 1.0 CE1 B:TYR75 3.7 7.0 1.0 CE2 B:TYR75 3.8 7.6 1.0 ND1 B:HIS83 4.0 10.0 1.0 ND1 B:HIS32 4.1 8.2 1.0 CG B:HIS32 4.2 7.7 1.0 CAP B:MQP201 4.2 8.1 1.0 CAQ B:MQP201 4.2 7.7 1.0 CAF B:MQP201 4.2 7.7 1.0 CAU B:MQP201 4.2 7.9 1.0 CAL B:MQP201 4.2 7.9 1.0 CAG B:MQP201 4.2 8.1 1.0 CAK B:MQP201 4.2 8.0 1.0 CAV B:MQP201 4.2 8.2 1.0 CG B:HIS83 4.7 8.7 1.0 CB B:HIS83 4.8 8.7 1.0 CE1 B:HIS83 4.8 9.8 1.0 CD1 B:TYR75 4.9 7.5 1.0 CBK B:MQP201 4.9 8.1 1.0 CBE B:MQP201 4.9 8.5 1.0 CD2 B:TYR75 4.9 7.4 1.0 CAY B:MQP201 4.9 7.6 1.0 CBQ B:MQP201 4.9 8.1 1.0 CG2 B:VAL37 5.0 10.1 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