Iron in PDB 9n1a: Crystal Structure of Diferric Hrmi From Streptomyces Griseoflavus

The structure of Crystal Structure of Diferric Hrmi From Streptomyces Griseoflavus, PDB code: 9n1a was solved by S.S.Skirboll, H.N.Phan, T.M.Makris, P.D.Swartz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.82 / 2.13
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	112.945, 112.945, 66.967, 90, 90, 120
R / Rfree (%)	17.6 / 21.9

The binding sites of Iron atom in the Crystal Structure of Diferric Hrmi From Streptomyces Griseoflavus (pdb code 9n1a). 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 Diferric Hrmi From Streptomyces Griseoflavus, PDB code: 9n1a:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Diferric Hrmi From Streptomyces Griseoflavus


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 Diferric Hrmi From Streptomyces Griseoflavus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:26.1 occ:1.00 OE2 A:GLU194 2.0 24.5 1.0 O A:HOH564 2.0 25.4 1.0 NE2 A:HIS288 2.1 26.0 1.0 O A:HOH634 2.1 21.6 0.9 ND1 A:HIS204 2.2 21.8 1.0 CD A:GLU194 2.9 22.6 1.0 CE1 A:HIS204 3.0 24.5 1.0 CE1 A:HIS288 3.0 27.8 1.0 CD2 A:HIS288 3.1 19.3 1.0 CG A:HIS204 3.3 19.5 1.0 OE1 A:GLU194 3.4 23.3 1.0 O A:HOH523 3.5 25.8 0.9 O A:HOH539 3.7 18.4 1.0 FE A:FE402 3.7 22.6 1.0 CB A:HIS204 3.8 18.6 1.0 ND1 A:HIS288 4.1 22.7 1.0 NE2 A:HIS204 4.2 21.4 1.0 CG A:HIS288 4.2 24.8 1.0 CG A:GLU194 4.2 19.1 1.0 CD2 A:HIS204 4.3 23.7 1.0 CD2 A:PHE168 4.4 42.1 1.0 OH A:TYR284 4.4 32.8 1.0 CE1 A:TYR284 4.6 29.8 1.0 OD1 A:ASP292 4.7 23.5 1.0 CE1 A:HIS295 4.8 23.5 1.0 CZ A:TYR284 4.9 28.4 1.0 OD2 A:ASP292 4.9 23.6 1.0 ND1 A:HIS295 5.0 15.1 1.0 CE2 A:PHE168 5.0 37.9 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Diferric Hrmi From Streptomyces Griseoflavus


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 Diferric Hrmi From Streptomyces Griseoflavus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:22.6 occ:1.00 O A:HOH634 2.0 21.6 0.9 OD1 A:ASP292 2.1 23.5 1.0 O A:HOH539 2.1 18.4 1.0 ND1 A:HIS295 2.2 15.1 1.0 O A:HOH523 2.3 25.8 0.9 OE2 A:GLU258 2.4 21.1 1.0 CE1 A:HIS295 3.0 23.5 1.0 CG A:ASP292 3.1 24.2 1.0 CD A:GLU258 3.1 27.7 1.0 OE1 A:GLU258 3.1 25.9 1.0 CG A:HIS295 3.3 16.0 1.0 OD2 A:ASP292 3.4 23.6 1.0 FE A:FE401 3.7 26.1 1.0 CB A:HIS295 3.7 14.2 1.0 OE2 A:GLU194 3.8 24.5 1.0 OD1 A:ASN190 4.0 19.8 1.0 NE2 A:HIS295 4.2 18.8 1.0 CD2 A:HIS295 4.3 16.2 1.0 ND2 A:ASN190 4.4 17.1 1.0 CB A:ASP292 4.4 20.2 1.0 CD2 A:HIS288 4.5 19.3 1.0 CG2 A:ILE291 4.5 26.5 1.0 CG A:GLU258 4.5 24.7 1.0 CG A:ASN190 4.6 15.2 1.0 CA A:ASP292 4.6 22.4 1.0 NE2 A:HIS288 4.6 26.0 1.0 CZ A:PHE254 4.7 16.0 0.5

S.S.Skirboll, M.Gangopadhyay, H.N.Phan, J.Hartsell, A.Mudireddy, D.Hilovsky, P.D.Swartz, X.Liu, Y.Guo, T.M.Makris. The Heme Oxygenase-Like Diiron Enzyme Hrmi Reveals Altered Regulatory Mechanisms For Dioxygen Activation and Substrate N-Oxygenation. J.Am.Chem.Soc. 2025.
ISSN: ESSN 1520-5126
PubMed: 40774922
DOI: 10.1021/JACS.5C08814