Iron in PDB 7f2z: Crystal Structure of Oxdb E85A Mutant (Form II)

All present enzymatic activity of Crystal Structure of Oxdb E85A Mutant (Form II):
4.99.1.7;

The structure of Crystal Structure of Oxdb E85A Mutant (Form II), PDB code: 7f2z was solved by N.Muraki, D.Matsui, Y.Asano, S.Aono, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.92 / 2.30
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	62.662, 62.662, 359.273, 90, 90, 120
R / Rfree (%)	18.2 / 23.8

The binding sites of Iron atom in the Crystal Structure of Oxdb E85A Mutant (Form II) (pdb code 7f2z). 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 Oxdb E85A Mutant (Form II), PDB code: 7f2z:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Oxdb E85A Mutant (Form II)


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 Oxdb E85A Mutant (Form II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:40.7 occ:1.00 FE A:HEM401 0.0 40.7 1.0 NA A:HEM401 2.0 33.2 1.0 ND A:HEM401 2.0 40.3 1.0 NB A:HEM401 2.0 33.0 1.0 NC A:HEM401 2.0 34.6 1.0 NE2 A:HIS282 2.4 53.7 1.0 C4A A:HEM401 3.0 29.2 1.0 C1D A:HEM401 3.0 38.5 1.0 C1B A:HEM401 3.0 26.3 1.0 C4C A:HEM401 3.0 35.8 1.0 C4B A:HEM401 3.0 36.6 1.0 C1A A:HEM401 3.1 36.6 1.0 C4D A:HEM401 3.1 45.0 1.0 C1C A:HEM401 3.1 32.3 1.0 CD2 A:HIS282 3.3 52.5 1.0 CHB A:HEM401 3.4 30.7 1.0 CHD A:HEM401 3.4 32.6 1.0 CE1 A:HIS282 3.4 46.7 1.0 CHC A:HEM401 3.5 42.5 1.0 CHA A:HEM401 3.5 39.3 1.0 C3A A:HEM401 4.2 34.5 1.0 C3B A:HEM401 4.2 24.8 1.0 C2B A:HEM401 4.2 29.8 1.0 C2D A:HEM401 4.2 36.8 1.0 C3C A:HEM401 4.3 36.7 1.0 C2A A:HEM401 4.3 31.5 1.0 C3D A:HEM401 4.3 37.9 1.0 C2C A:HEM401 4.3 33.8 1.0 ND1 A:HIS282 4.5 54.4 1.0 CG A:HIS282 4.5 53.9 1.0 CG2 A:THR276 4.9 50.6 1.0 OG1 A:THR202 4.9 42.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Oxdb E85A Mutant (Form II)


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 Oxdb E85A Mutant (Form II) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:42.1 occ:1.00 FE B:HEM401 0.0 42.1 1.0 NB B:HEM401 2.0 39.4 1.0 NA B:HEM401 2.0 40.2 1.0 NC B:HEM401 2.0 41.7 1.0 ND B:HEM401 2.1 38.2 1.0 NE2 B:HIS282 2.4 47.1 1.0 C4B B:HEM401 3.0 37.6 1.0 C4C B:HEM401 3.0 39.6 1.0 C1A B:HEM401 3.1 38.7 1.0 C1C B:HEM401 3.1 34.1 1.0 C4A B:HEM401 3.1 38.2 1.0 C1D B:HEM401 3.1 49.4 1.0 C1B B:HEM401 3.1 35.6 1.0 C4D B:HEM401 3.1 46.6 1.0 CE1 B:HIS282 3.3 40.4 1.0 CD2 B:HIS282 3.4 43.0 1.0 CHC B:HEM401 3.4 34.1 1.0 CHD B:HEM401 3.4 44.8 1.0 CHB B:HEM401 3.5 34.6 1.0 CHA B:HEM401 3.5 43.3 1.0 C3B B:HEM401 4.3 31.5 1.0 C3C B:HEM401 4.3 43.0 1.0 C2C B:HEM401 4.3 38.3 1.0 C3A B:HEM401 4.3 37.2 1.0 C2A B:HEM401 4.3 42.0 1.0 C2B B:HEM401 4.3 31.2 1.0 C2D B:HEM401 4.3 49.7 1.0 C3D B:HEM401 4.3 49.1 1.0 ND1 B:HIS282 4.5 45.9 1.0 CG B:HIS282 4.5 45.9 1.0 CG2 B:THR276 5.0 43.0 1.0 OG1 B:THR202 5.0 46.1 1.0

D.Matsui, N.Muraki, K.Chen, T.Mori, A.A.Ingram, K.Oike, H.Groger, S.Aono, Y.Asano. Crystal Structural Analysis of Aldoxime Dehydratase From Bacillus Sp. Oxb-1: Importance of Surface Residues in Optimization For Crystallization. J.Inorg.Biochem. V. 230 11770 2022.
ISSN: ISSN 0162-0134
PubMed: 35272237
DOI: 10.1016/J.JINORGBIO.2022.111770