Iron in PDB 6git: Purple Acid Phytase From Wheat Isoform B2 - Product Complex

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

The structure of Purple Acid Phytase From Wheat Isoform B2 - Product Complex, PDB code: 6git 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)	63.24 / 1.42
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	126.481, 126.481, 106.798, 90.00, 90.00, 120.00
R / Rfree (%)	13.2 / 15.8

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

Iron binding site 1 out of 2 in the Purple Acid Phytase From Wheat Isoform B2 - Product 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 - Product Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:44.8 occ:0.47 O1 A:PO4611 1.5 40.6 0.9 OD2 A:ASP174 1.8 32.5 1.0 OH A:TYR204 1.9 30.3 1.0 OD2 A:ASP201 2.3 20.9 1.0 NE2 A:HIS379 2.8 28.1 1.0 CG A:ASP174 2.8 19.6 1.0 P A:PO4611 2.9 28.0 0.9 CZ A:TYR204 3.2 22.6 1.0 CG A:ASP201 3.3 15.6 1.0 CB A:ASP174 3.3 12.8 1.0 O2 A:PO4611 3.3 23.0 0.9 CB A:ASP201 3.5 13.1 1.0 FE A:FE602 3.6 12.8 0.9 CD2 A:HIS379 3.6 21.1 1.0 O3 A:PO4611 3.6 27.3 0.9 CE1 A:HIS379 3.8 23.4 1.0 CE2 A:TYR204 3.8 18.8 1.0 OD1 A:ASP174 3.9 17.6 1.0 O A:HIS377 3.9 14.3 1.0 O4 A:PO4611 3.9 29.8 0.9 ND2 A:ASN407 4.1 14.5 1.0 CD2 A:HIS259 4.1 15.4 1.0 CE1 A:TYR204 4.1 18.4 1.0 CA A:ASP174 4.2 12.5 1.0 CA A:HIS377 4.3 12.3 1.0 NE2 A:HIS259 4.4 17.8 1.0 OD1 A:ASP201 4.4 14.3 1.0 C A:HIS377 4.5 12.2 1.0 CE1 A:HIS340 4.5 12.8 1.0 NE2 A:HIS340 4.6 12.9 1.0 OE1 A:GLU409 4.6 21.3 1.0 N A:HIS377 4.8 11.3 1.0 CG A:ASN407 4.8 13.1 1.0 CG A:HIS379 4.8 17.6 1.0 ND1 A:HIS379 4.9 19.3 1.0 ND1 A:HIS377 4.9 15.4 1.0

Iron binding site 2 out of 2 in the Purple Acid Phytase From Wheat Isoform B2 - Product 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 - Product Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:12.8 occ:0.89 NE2 A:HIS340 2.0 12.9 1.0 O2 A:PO4611 2.0 23.0 0.9 ND1 A:HIS377 2.1 15.4 1.0 OD1 A:ASN258 2.2 17.0 1.0 OD2 A:ASP201 2.3 20.9 1.0 CE1 A:HIS377 2.9 17.1 1.0 CE1 A:HIS340 3.0 12.8 1.0 CD2 A:HIS340 3.0 12.1 1.0 CG A:ASP201 3.2 15.6 1.0 CG A:HIS377 3.2 14.4 1.0 P A:PO4611 3.2 28.0 0.9 CG A:ASN258 3.2 15.2 1.0 OD1 A:ASP201 3.5 14.3 1.0 CA A:HIS377 3.5 12.3 1.0 O1 A:PO4611 3.5 40.6 0.9 FE A:FE601 3.6 44.8 0.5 ND2 A:ASN258 3.7 18.2 1.0 CB A:HIS377 3.7 13.1 1.0 OD2 A:ASP174 3.8 32.5 1.0 O3 A:PO4611 3.8 27.3 0.9 NE2 A:HIS377 4.1 17.7 1.0 ND1 A:HIS340 4.1 12.8 1.0 CG A:HIS340 4.1 11.9 1.0 O A:HIS377 4.2 14.3 1.0 CD2 A:HIS377 4.2 15.9 1.0 CD2 A:HIS259 4.3 15.4 1.0 C A:HIS377 4.4 12.2 1.0 N A:ASN258 4.4 12.9 1.0 O4 A:PO4611 4.4 29.8 0.9 N A:HIS377 4.4 11.3 1.0 CB A:ASP201 4.5 13.1 1.0 CB A:ASN258 4.6 13.5 1.0 OH A:TYR307 4.7 20.4 1.0 CG A:ASP174 4.8 19.6 1.0 NE2 A:HIS259 4.9 17.8 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.