Iron in PDB 8w94: Azumapecten Farreri Homopolymeric Ferritin (Apf) Mutant-H2KE Exposed to H2O2 For 2 S

The structure of Azumapecten Farreri Homopolymeric Ferritin (Apf) Mutant-H2KE Exposed to H2O2 For 2 S, PDB code: 8w94 was solved by T.Zhang, R.Jiao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.94 / 2.30
Space group	I 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	152.652, 152.652, 152.652, 90, 90, 90
R / Rfree (%)	16 / 20

The binding sites of Iron atom in the Azumapecten Farreri Homopolymeric Ferritin (Apf) Mutant-H2KE Exposed to H2O2 For 2 S (pdb code 8w94). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Azumapecten Farreri Homopolymeric Ferritin (Apf) Mutant-H2KE Exposed to H2O2 For 2 S, PDB code: 8w94:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Azumapecten Farreri Homopolymeric Ferritin (Apf) Mutant-H2KE Exposed to H2O2 For 2 S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Azumapecten Farreri Homopolymeric Ferritin (Apf) Mutant-H2KE Exposed to H2O2 For 2 S within 5.0Å range: probe atom residue distance (Å) B Occ b:Fe201 b:44.3 occ:0.33 OE1 b:GLU131 2.5 42.6 1.0 OD1 b:ASP128 2.9 45.4 1.0 CD b:GLU131 3.7 39.1 1.0 CG b:ASP128 4.0 44.3 1.0 O b:HOH383 4.2 43.5 0.3 OE2 b:GLU131 4.3 40.6 1.0 CB b:ASP128 4.4 37.0 1.0 CA b:ASP128 4.6 37.2 1.0 CG b:GLU131 4.9 39.5 1.0 CB b:GLU131 4.9 40.8 1.0

Iron binding site 2 out of 3 in the Azumapecten Farreri Homopolymeric Ferritin (Apf) Mutant-H2KE Exposed to H2O2 For 2 S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Azumapecten Farreri Homopolymeric Ferritin (Apf) Mutant-H2KE Exposed to H2O2 For 2 S within 5.0Å range: probe atom residue distance (Å) B Occ b:Fe202 b:35.6 occ:1.00 HO2 b:PEO204 1.1 54.9 1.0 O2 b:PEO204 1.6 45.7 1.0 OE1 b:GLU24 2.0 35.2 1.0 OE1 b:GLU59 2.0 34.2 1.0 ND1 b:HIS62 2.0 38.6 1.0 O b:HOH303 2.2 34.5 1.0 O1 b:PEO204 2.7 47.6 1.0 CD b:GLU24 3.0 36.2 1.0 CD b:GLU59 3.0 38.5 1.0 CE1 b:HIS62 3.0 42.4 1.0 CG b:HIS62 3.1 38.0 1.0 HO1 b:PEO204 3.3 57.2 1.0 OE2 b:GLU59 3.3 40.1 1.0 OE2 b:GLU24 3.3 36.8 1.0 CB b:HIS62 3.4 36.1 1.0 NE2 b:HIS62 4.1 40.2 1.0 CG1 b:VAL107 4.1 34.2 1.0 NE2 b:GLN138 4.2 39.7 1.0 O b:HOH343 4.2 38.2 1.0 CD2 b:HIS62 4.2 37.2 1.0 CG b:GLU59 4.3 35.8 1.0 CG b:GLU24 4.3 33.7 1.0 CA b:GLU59 4.4 37.6 1.0 O b:HOH321 4.5 44.5 1.0 CB b:GLU59 4.6 34.8 1.0 CB b:GLU24 4.6 33.0 1.0 FE b:FE203 4.7 39.0 0.3 CA b:HIS62 5.0 34.4 1.0

Iron binding site 3 out of 3 in the Azumapecten Farreri Homopolymeric Ferritin (Apf) Mutant-H2KE Exposed to H2O2 For 2 S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Azumapecten Farreri Homopolymeric Ferritin (Apf) Mutant-H2KE Exposed to H2O2 For 2 S within 5.0Å range: probe atom residue distance (Å) B Occ b:Fe203 b:39.0 occ:0.29 O b:HOH321 2.2 44.5 1.0 OE2 b:GLU104 2.3 43.5 1.0 O b:HOH371 2.3 44.6 1.0 OE2 b:GLU59 2.3 40.1 1.0 O1 b:PEO204 2.4 47.6 1.0 OD2 b:ASP141 2.4 52.3 1.0 OE1 b:GLU104 2.4 43.9 1.0 CD b:GLU104 2.6 43.5 1.0 HO1 b:PEO204 2.7 57.2 1.0 NZ b:LYS55 3.4 49.1 1.0 CD b:GLU59 3.6 38.5 1.0 CG b:ASP141 3.7 47.5 1.0 O2 b:PEO204 3.8 45.7 1.0 HO2 b:PEO204 3.8 54.9 1.0 NE2 b:GLN138 4.0 39.7 1.0 CG b:GLU104 4.1 38.3 1.0 OE1 b:GLU59 4.4 34.2 1.0 CB b:ASP141 4.4 39.9 1.0 CE1 b:HIS62 4.4 42.4 1.0 CE2 b:TYR31 4.5 38.2 1.0 OH b:TYR31 4.6 46.7 1.0 CG b:GLU59 4.6 35.8 1.0 OD1 b:ASP141 4.6 51.2 1.0 OE1 b:GLU58 4.6 48.1 1.0 CE b:LYS55 4.7 51.6 1.0 FE b:FE202 4.7 35.6 1.0 OE1 b:GLN138 4.8 39.6 1.0 CD b:GLN138 4.9 37.8 1.0 CD b:LYS55 4.9 48.0 1.0 CZ b:TYR31 5.0 39.9 1.0 ND1 b:HIS62 5.0 38.6 1.0

T.Zhang, R.Jiao. Azumapecten Farreri Homopolymeric Ferritin (Apf) Mutant-H2KE Exposed to H2O2 For 2 S To Be Published.