Iron in PDB 6giz: Purple Acid Phytase From Wheat Isoform B2 - Substrate Complex

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

The structure of Purple Acid Phytase From Wheat Isoform B2 - Substrate Complex, PDB code: 6giz 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)	48.11 / 1.54
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	126.730, 126.730, 107.040, 90.00, 90.00, 120.00
R / Rfree (%)	13.6 / 16.7

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

Iron binding site 1 out of 2 in the Purple Acid Phytase From Wheat Isoform B2 - Substrate 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 - Substrate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:20.1 occ:0.62 OH A:TYR204 1.9 21.5 1.0 OD2 A:ASP174 1.9 21.3 1.0 O A:HOH709 2.1 37.0 1.0 O1 A:PO4612 2.3 32.2 0.8 OD2 A:ASP201 2.3 18.4 1.0 NE2 A:HIS379 2.4 22.6 1.0 CG A:ASP174 2.9 21.3 1.0 CZ A:TYR204 3.2 20.5 1.0 CB A:ASP174 3.3 19.1 1.0 CG A:ASP201 3.3 17.9 1.0 CD2 A:HIS379 3.3 23.7 1.0 CE1 A:HIS379 3.4 23.9 1.0 FE A:FE602 3.4 16.7 0.9 P A:PO4612 3.5 35.2 0.8 CB A:ASP201 3.6 17.0 1.0 O A:HIS377 3.8 18.3 1.0 CE2 A:TYR204 3.9 17.8 1.0 O3 A:PO4612 4.0 33.1 0.8 O2 A:PO4612 4.0 31.7 0.8 OD1 A:ASP174 4.0 20.4 1.0 ND2 A:ASN407 4.1 18.0 1.0 CE1 A:TYR204 4.2 20.4 1.0 CD2 A:HIS259 4.3 19.4 1.0 CA A:ASP174 4.3 16.5 1.0 CA A:HIS377 4.3 15.9 1.0 C A:HIS377 4.4 16.7 1.0 OD1 A:ASP201 4.5 18.2 1.0 CE1 A:HIS340 4.5 17.2 1.0 CG A:HIS379 4.5 22.1 1.0 ND1 A:HIS379 4.5 25.0 1.0 NE2 A:HIS259 4.5 22.1 1.0 NE2 A:HIS340 4.6 17.0 1.0 O4 A:PO4612 4.7 36.8 0.8 OE1 A:GLU409 4.7 28.0 1.0 CG A:ASN407 4.8 19.8 1.0 N A:HIS377 4.8 16.2 1.0 ND1 A:HIS377 4.9 19.2 1.0 OD1 A:ASN407 5.0 21.9 1.0

Iron binding site 2 out of 2 in the Purple Acid Phytase From Wheat Isoform B2 - Substrate 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 - Substrate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:16.7 occ:0.90 NE2 A:HIS340 2.1 17.0 1.0 ND1 A:HIS377 2.1 19.2 1.0 OD1 A:ASN258 2.1 20.7 1.0 OD2 A:ASP201 2.2 18.4 1.0 O A:HOH709 2.2 37.0 1.0 O2 A:PO4612 2.5 31.7 0.8 CE1 A:HIS377 2.9 21.6 1.0 CE1 A:HIS340 3.1 17.2 1.0 CG A:ASP201 3.1 17.9 1.0 CD2 A:HIS340 3.2 14.7 1.0 CG A:ASN258 3.2 18.9 1.0 CG A:HIS377 3.3 18.2 1.0 FE A:FE601 3.4 20.1 0.6 P A:PO4612 3.4 35.2 0.8 OD1 A:ASP201 3.5 18.2 1.0 O1 A:PO4612 3.5 32.2 0.8 CA A:HIS377 3.6 15.9 1.0 ND2 A:ASN258 3.6 21.4 1.0 OD2 A:ASP174 3.7 21.3 1.0 CB A:HIS377 3.8 16.8 1.0 O3 A:PO4612 4.0 33.1 0.8 NE2 A:HIS377 4.1 19.9 1.0 O A:HIS377 4.1 18.3 1.0 CD2 A:HIS259 4.1 19.4 1.0 ND1 A:HIS340 4.2 16.9 1.0 CG A:HIS340 4.3 16.0 1.0 CD2 A:HIS377 4.3 19.3 1.0 C A:HIS377 4.4 16.7 1.0 N A:ASN258 4.4 17.3 1.0 CB A:ASP201 4.4 17.0 1.0 CB A:ASN258 4.5 17.3 1.0 N A:HIS377 4.6 16.2 1.0 O4 A:PO4612 4.8 36.8 0.8 OH A:TYR307 4.8 23.5 1.0 NE2 A:HIS259 4.8 22.1 1.0 CG A:ASP174 4.8 21.3 1.0 OH A:TYR204 4.9 21.5 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.