Iron in PDB 6gja: Purple Acid Phytase From Wheat Isoform B2 - H229A Mutant

All present enzymatic activity of Purple Acid Phytase From Wheat Isoform B2 - H229A Mutant:
3.1.3.2;

The structure of Purple Acid Phytase From Wheat Isoform B2 - H229A Mutant, PDB code: 6gja 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)	36.37 / 1.50
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	125.980, 125.980, 106.550, 90.00, 90.00, 120.00
R / Rfree (%)	12.8 / 15.2

The binding sites of Iron atom in the Purple Acid Phytase From Wheat Isoform B2 - H229A Mutant (pdb code 6gja). 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 - H229A Mutant, PDB code: 6gja:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Purple Acid Phytase From Wheat Isoform B2 - H229A Mutant


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 - H229A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:20.2 occ:0.50 O3 A:PO4612 1.6 25.9 0.8 OH A:TYR204 1.9 16.6 1.0 OD2 A:ASP174 2.0 18.8 1.0 O A:HOH704 2.2 62.5 1.0 OD2 A:ASP201 2.3 15.3 1.0 NE2 A:HIS379 2.6 19.6 1.0 P A:PO4612 2.9 23.5 0.8 CG A:ASP174 3.0 16.8 1.0 CZ A:TYR204 3.1 15.2 1.0 O2 A:PO4612 3.2 22.3 0.8 CG A:ASP201 3.3 13.7 1.0 CB A:ASP174 3.4 14.3 1.0 FE A:FE602 3.5 14.6 1.0 CD2 A:HIS379 3.5 19.1 1.0 CE1 A:HIS379 3.5 20.4 1.0 O1 A:PO4612 3.6 22.4 0.8 CB A:ASP201 3.6 14.4 1.0 CE2 A:TYR204 3.8 16.0 1.0 O A:HIS377 3.9 14.3 1.0 O4 A:PO4612 4.0 25.8 0.8 ND2 A:ASN407 4.1 15.2 1.0 OD1 A:ASP174 4.1 18.4 1.0 CD2 A:HIS259 4.1 16.7 1.0 CE1 A:TYR204 4.2 15.3 1.0 CA A:HIS377 4.4 13.2 1.0 NE2 A:HIS259 4.4 16.9 1.0 CA A:ASP174 4.4 12.9 1.0 OD1 A:ASP201 4.4 15.1 1.0 C A:HIS377 4.5 13.5 1.0 NE2 A:HIS340 4.6 14.1 1.0 CE1 A:HIS340 4.6 13.7 1.0 OE1 A:GLU409 4.6 25.1 1.0 ND1 A:HIS379 4.7 20.5 1.0 CG A:HIS379 4.7 18.1 1.0 CG A:ASN407 4.8 15.3 1.0 N A:HIS377 4.8 12.5 1.0 ND1 A:HIS377 4.9 13.4 1.0

Iron binding site 2 out of 2 in the Purple Acid Phytase From Wheat Isoform B2 - H229A Mutant


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 - H229A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:14.6 occ:1.00 NE2 A:HIS340 2.1 14.1 1.0 ND1 A:HIS377 2.1 13.4 1.0 O2 A:PO4612 2.1 22.3 0.8 OD1 A:ASN258 2.2 17.6 1.0 OD2 A:ASP201 2.2 15.3 1.0 O A:HOH704 2.3 62.5 1.0 CE1 A:HIS377 2.9 17.2 1.0 CE1 A:HIS340 3.0 13.7 1.0 CD2 A:HIS340 3.0 13.9 1.0 CG A:ASP201 3.2 13.7 1.0 CG A:HIS377 3.2 13.1 1.0 CG A:ASN258 3.2 16.8 1.0 P A:PO4612 3.3 23.5 0.8 FE A:FE601 3.5 20.2 0.5 OD1 A:ASP201 3.5 15.1 1.0 CA A:HIS377 3.5 13.2 1.0 O3 A:PO4612 3.6 25.9 0.8 OD2 A:ASP174 3.7 18.8 1.0 ND2 A:ASN258 3.7 17.8 1.0 CB A:HIS377 3.7 13.2 1.0 O1 A:PO4612 3.9 22.4 0.8 NE2 A:HIS377 4.1 16.9 1.0 ND1 A:HIS340 4.2 11.8 1.0 O A:HIS377 4.2 14.3 1.0 CG A:HIS340 4.2 11.3 1.0 CD2 A:HIS377 4.3 15.6 1.0 CD2 A:HIS259 4.3 16.7 1.0 C A:HIS377 4.3 13.5 1.0 N A:ASN258 4.4 13.4 1.0 CB A:ASP201 4.5 14.4 1.0 N A:HIS377 4.5 12.5 1.0 O4 A:PO4612 4.5 25.8 0.8 CB A:ASN258 4.6 14.5 1.0 OH A:TYR307 4.7 17.3 1.0 CG A:ASP174 4.8 16.8 1.0 NE2 A:HIS259 5.0 16.9 1.0 OH A:TYR204 5.0 16.6 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.