Iron in PDB 6gj9: Purple Acid Phytase From Wheat Isoform B2 - Regeneration Complex

All present enzymatic activity of Purple Acid Phytase From Wheat Isoform B2 - Regeneration Complex:
3.1.3.2;

The structure of Purple Acid Phytase From Wheat Isoform B2 - Regeneration Complex, PDB code: 6gj9 was solved by R.Faba-Rodriguez, C.A.Brearley, A.M.Hemmings, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.77 / 1.76
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	126.971, 126.971, 107.518, 90.00, 90.00, 120.00
R / Rfree (%)	14.4 / 19.6

The binding sites of Iron atom in the Purple Acid Phytase From Wheat Isoform B2 - Regeneration Complex (pdb code 6gj9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Purple Acid Phytase From Wheat Isoform B2 - Regeneration Complex, PDB code: 6gj9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Purple Acid Phytase From Wheat Isoform B2 - Regeneration Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Purple Acid Phytase From Wheat Isoform B2 - Regeneration Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:16.5 occ:0.63 OH A:TYR204 1.9 12.6 1.0 OD2 A:ASP174 2.0 14.9 1.0 O A:HOH701 2.0 31.6 1.0 O3 A:PO4611 2.0 22.0 0.7 OD2 A:ASP201 2.3 13.0 1.0 NE2 A:HIS379 2.5 15.0 1.0 CG A:ASP174 3.0 11.2 1.0 CZ A:TYR204 3.2 13.6 1.0 CG A:ASP201 3.3 11.4 1.0 P A:PO4611 3.4 24.1 0.7 FE A:FE602 3.4 12.6 1.0 CD2 A:HIS379 3.4 15.1 1.0 CB A:ASP174 3.4 7.8 1.0 CE1 A:HIS379 3.5 15.9 1.0 CB A:ASP201 3.6 8.6 1.0 O1 A:PO4611 3.8 20.4 0.7 CE2 A:TYR204 3.8 13.3 1.0 O A:HIS377 3.9 13.3 1.0 O2 A:PO4611 3.9 18.8 0.7 CD2 A:HIS259 4.0 12.6 1.0 OD1 A:ASP174 4.1 13.3 1.0 ND2 A:ASN407 4.1 11.0 1.0 CE1 A:TYR204 4.2 10.7 1.0 NE2 A:HIS259 4.2 14.0 1.0 CA A:HIS377 4.3 8.8 1.0 CA A:ASP174 4.4 7.9 1.0 OD1 A:ASP201 4.5 13.0 1.0 C A:HIS377 4.5 10.6 1.0 O4 A:PO4611 4.5 24.3 0.7 ND1 A:HIS379 4.6 15.7 1.0 CE1 A:HIS340 4.6 10.4 1.0 NE2 A:HIS340 4.6 12.1 1.0 CG A:HIS379 4.6 15.4 1.0 OE1 A:GLU409 4.7 22.4 1.0 ND1 A:HIS377 4.8 9.8 1.0 CG A:ASN407 4.8 12.3 1.0 N A:HIS377 4.8 10.5 1.0

Iron binding site 2 out of 2 in the Purple Acid Phytase From Wheat Isoform B2 - Regeneration Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Purple Acid Phytase From Wheat Isoform B2 - Regeneration Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:12.6 occ:1.00 ND1 A:HIS377 2.1 9.8 1.0 OD1 A:ASN258 2.1 13.9 1.0 NE2 A:HIS340 2.1 12.1 1.0 OD2 A:ASP201 2.2 13.0 1.0 O A:HOH701 2.3 31.6 1.0 O2 A:PO4611 2.7 18.8 0.7 CE1 A:HIS377 2.9 11.1 1.0 CE1 A:HIS340 3.1 10.4 1.0 CG A:ASP201 3.1 11.4 1.0 CD2 A:HIS340 3.1 8.3 1.0 CG A:ASN258 3.2 13.1 1.0 CG A:HIS377 3.3 11.2 1.0 FE A:FE601 3.4 16.5 0.6 O3 A:PO4611 3.4 22.0 0.7 OD1 A:ASP201 3.5 13.0 1.0 CA A:HIS377 3.5 8.8 1.0 P A:PO4611 3.6 24.1 0.7 ND2 A:ASN258 3.7 15.5 1.0 OD2 A:ASP174 3.7 14.9 1.0 CB A:HIS377 3.8 8.8 1.0 NE2 A:HIS377 4.1 11.3 1.0 O1 A:PO4611 4.1 20.4 0.7 CD2 A:HIS259 4.1 12.6 1.0 O A:HIS377 4.1 13.3 1.0 ND1 A:HIS340 4.2 11.9 1.0 CD2 A:HIS377 4.3 11.5 1.0 CG A:HIS340 4.3 11.1 1.0 C A:HIS377 4.3 10.6 1.0 N A:ASN258 4.3 11.4 1.0 CB A:ASP201 4.4 8.6 1.0 CB A:ASN258 4.5 12.0 1.0 N A:HIS377 4.5 10.5 1.0 NE2 A:HIS259 4.7 14.0 1.0 OH A:TYR307 4.8 16.0 1.0 CG A:ASP174 4.8 11.2 1.0 O4 A:PO4611 4.9 24.3 0.7 OH A:TYR204 4.9 12.6 1.0 CA A:ASN258 5.0 10.4 1.0

R.Faba-Rodriguez, G.Dionisio, H.Brinch-Pedersen, C.A.Brearley, A.M.Hemmings. Crystal Structure of A Cereal Purple Acid Phytase Provides Insights to Phytate Degradation in Plants To Be Published.