Iron in PDB 5hh3: Oxya From Actinoplanes Teichomyceticus

The structure of Oxya From Actinoplanes Teichomyceticus, PDB code: 5hh3 was solved by K.Haslinger, M.J.Cryle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.83 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.490, 103.060, 152.970, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 22.9

The binding sites of Iron atom in the Oxya From Actinoplanes Teichomyceticus (pdb code 5hh3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Oxya From Actinoplanes Teichomyceticus, PDB code: 5hh3:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Oxya From Actinoplanes Teichomyceticus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Oxya From Actinoplanes Teichomyceticus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:38.3 occ:1.00 FE A:HEM401 0.0 38.3 1.0 ND A:HEM401 1.9 34.4 1.0 N C:GLY-5 2.0 64.1 1.0 NA A:HEM401 2.0 33.9 1.0 NC A:HEM401 2.1 37.1 1.0 NB A:HEM401 2.1 36.9 1.0 SG A:CYS342 2.5 40.4 1.0 C1D A:HEM401 2.9 35.0 1.0 C4D A:HEM401 2.9 34.4 1.0 C1A A:HEM401 3.0 35.2 1.0 C4A A:HEM401 3.0 35.9 1.0 C4C A:HEM401 3.1 36.0 1.0 C1B A:HEM401 3.1 35.8 1.0 C4B A:HEM401 3.1 36.8 1.0 C1C A:HEM401 3.1 36.4 1.0 CA C:GLY-5 3.2 58.0 1.0 CHD A:HEM401 3.4 35.6 1.0 CHA A:HEM401 3.4 34.3 1.0 CB A:CYS342 3.4 40.8 1.0 CHB A:HEM401 3.4 35.0 1.0 CHC A:HEM401 3.5 37.4 1.0 CA A:CYS342 4.1 40.2 1.0 C3D A:HEM401 4.2 35.0 1.0 C2D A:HEM401 4.2 35.6 1.0 C2A A:HEM401 4.2 34.5 1.0 C3A A:HEM401 4.2 36.0 1.0 C3C A:HEM401 4.3 37.9 1.0 C2B A:HEM401 4.3 36.3 1.0 C2C A:HEM401 4.3 36.6 1.0 C3B A:HEM401 4.3 37.5 1.0 C C:GLY-5 4.6 53.5 1.0 O A:HOH524 4.7 51.4 1.0 N A:GLY344 4.9 40.6 1.0 C A:CYS342 4.9 40.5 1.0

Iron binding site 2 out of 2 in the Oxya From Actinoplanes Teichomyceticus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Oxya From Actinoplanes Teichomyceticus within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:28.4 occ:1.00 FE C:HEM401 0.0 28.4 1.0 ND C:HEM401 1.9 28.2 1.0 NA C:HEM401 2.0 30.8 1.0 NC C:HEM401 2.1 29.9 1.0 O C:HOH559 2.1 34.1 1.0 NB C:HEM401 2.1 31.1 1.0 SG C:CYS342 2.2 29.7 1.0 C1D C:HEM401 2.9 28.6 1.0 C4D C:HEM401 3.0 27.5 1.0 C1A C:HEM401 3.0 30.4 1.0 C4A C:HEM401 3.0 31.5 1.0 C4B C:HEM401 3.1 31.8 1.0 C1B C:HEM401 3.1 31.6 1.0 C4C C:HEM401 3.1 30.1 1.0 C1C C:HEM401 3.1 30.4 1.0 CHA C:HEM401 3.4 28.0 1.0 CHD C:HEM401 3.4 28.3 1.0 CB C:CYS342 3.4 28.9 1.0 CHB C:HEM401 3.4 30.5 1.0 CHC C:HEM401 3.4 30.7 1.0 CA C:CYS342 4.0 28.8 1.0 C2D C:HEM401 4.2 29.5 1.0 C2A C:HEM401 4.2 30.0 1.0 C3D C:HEM401 4.2 28.4 1.0 C3A C:HEM401 4.2 30.9 1.0 NE2 C:GLN236 4.3 35.5 1.0 C3C C:HEM401 4.3 31.5 1.0 C2B C:HEM401 4.3 32.9 1.0 C2C C:HEM401 4.3 29.9 1.0 C3B C:HEM401 4.3 33.5 1.0 N C:GLY344 4.7 30.6 1.0 C C:CYS342 4.7 29.0 1.0 N C:LEU343 4.8 29.3 1.0 CD C:GLN236 5.0 35.2 1.0

K.Haslinger, M.J.Cryle. Structure of Oxyatei : Completing Our Picture of the Glycopeptide Antibiotic Producing Cytochrome P450 Cascade. Febs Lett. V. 590 571 2016.
ISSN: ISSN 0014-5793
PubMed: 26820384
DOI: 10.1002/1873-3468.12081