Iron in PDB 6gj2: Purple Acid Phytase From Wheat Isoform B2 - Complex with Inositol Hexasulphate

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

The structure of Purple Acid Phytase From Wheat Isoform B2 - Complex with Inositol Hexasulphate, PDB code: 6gj2 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)	38.44 / 1.68
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	126.020, 126.020, 105.910, 90.00, 90.00, 120.00
R / Rfree (%)	13.4 / 17.6

The binding sites of Iron atom in the Purple Acid Phytase From Wheat Isoform B2 - Complex with Inositol Hexasulphate (pdb code 6gj2). 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 - Complex with Inositol Hexasulphate, PDB code: 6gj2:
Jump to Iron binding site number: 1; 2;

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


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 - Complex with Inositol Hexasulphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:56.9 occ:0.70 O3 A:PO4619 1.8 63.0 1.0 OH A:TYR204 1.9 51.2 1.0 OD2 A:ASP174 1.9 47.2 1.0 OD2 A:ASP201 2.2 36.0 1.0 NE2 A:HIS379 2.6 44.7 1.0 P A:PO4619 2.9 48.5 1.0 CG A:ASP174 2.9 35.0 1.0 CZ A:TYR204 3.1 40.5 1.0 O2 A:PO4619 3.2 38.5 1.0 CG A:ASP201 3.2 30.0 1.0 CB A:ASP174 3.4 29.3 1.0 FE A:FE602 3.5 20.4 0.7 CD2 A:HIS379 3.5 37.9 1.0 O1 A:PO4619 3.5 46.6 1.0 CE1 A:HIS379 3.6 41.8 1.0 CB A:ASP201 3.6 25.4 1.0 CE2 A:TYR204 3.8 36.7 1.0 O A:HIS377 3.9 30.3 1.0 OD1 A:ASP174 4.0 32.9 1.0 CD2 A:HIS259 4.1 29.0 1.0 O4 A:PO4619 4.1 52.2 1.0 ND2 A:ASN407 4.2 26.4 1.0 CE1 A:TYR204 4.2 35.2 1.0 OD1 A:ASP201 4.3 28.1 1.0 CA A:HIS377 4.3 23.7 1.0 NE2 A:HIS259 4.4 32.6 1.0 CA A:ASP174 4.4 25.0 1.0 C A:HIS377 4.5 26.1 1.0 NE2 A:HIS340 4.5 23.6 1.0 OE1 A:GLU409 4.5 42.6 1.0 CE1 A:HIS340 4.5 25.1 1.0 CG A:HIS379 4.7 35.5 1.0 ND1 A:HIS379 4.7 37.5 1.0 CG A:ASN407 4.8 26.1 1.0 N A:HIS377 4.8 23.8 1.0 ND1 A:HIS377 4.9 26.5 1.0

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


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 - Complex with Inositol Hexasulphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:20.4 occ:0.71 O2 A:PO4619 2.0 38.5 1.0 NE2 A:HIS340 2.0 23.6 1.0 OD1 A:ASN258 2.1 30.9 1.0 ND1 A:HIS377 2.1 26.5 1.0 OD2 A:ASP201 2.2 36.0 1.0 CE1 A:HIS377 2.9 31.2 1.0 CD2 A:HIS340 3.0 23.1 1.0 CE1 A:HIS340 3.1 25.1 1.0 CG A:ASP201 3.1 30.0 1.0 CG A:ASN258 3.1 29.0 1.0 CG A:HIS377 3.2 27.2 1.0 P A:PO4619 3.3 48.5 1.0 OD1 A:ASP201 3.4 28.1 1.0 FE A:FE601 3.5 56.9 0.7 CA A:HIS377 3.5 23.7 1.0 ND2 A:ASN258 3.6 29.7 1.0 OD2 A:ASP174 3.7 47.2 1.0 CB A:HIS377 3.7 23.5 1.0 O3 A:PO4619 3.7 63.0 1.0 O1 A:PO4619 3.9 46.6 1.0 NE2 A:HIS377 4.1 28.5 1.0 CG A:HIS340 4.1 22.4 1.0 ND1 A:HIS340 4.1 22.1 1.0 O A:HIS377 4.2 30.3 1.0 CD2 A:HIS377 4.3 28.3 1.0 CD2 A:HIS259 4.3 29.0 1.0 N A:ASN258 4.3 24.0 1.0 C A:HIS377 4.3 26.1 1.0 CB A:ASP201 4.4 25.4 1.0 CB A:ASN258 4.5 26.8 1.0 N A:HIS377 4.5 23.8 1.0 O4 A:PO4619 4.5 52.2 1.0 OH A:TYR307 4.7 31.8 1.0 CG A:ASP174 4.8 35.0 1.0 NE2 A:HIS259 4.9 32.6 1.0 CA A:ASN258 5.0 25.8 1.0 OH A:TYR204 5.0 51.2 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.