Iron in PDB 2qfr: Crystal Structure of Red Kidney Bean Purple Acid Phosphatase with Bound Sulfate

All present enzymatic activity of Crystal Structure of Red Kidney Bean Purple Acid Phosphatase with Bound Sulfate:
3.1.3.2;

The structure of Crystal Structure of Red Kidney Bean Purple Acid Phosphatase with Bound Sulfate, PDB code: 2qfr was solved by L.W.Guddat, G.Schenk, L.R.Gahan, T.W.Elliot, E.Leung, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.00 / 2.40
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	148.030, 148.030, 160.090, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 21.1

The structure of Crystal Structure of Red Kidney Bean Purple Acid Phosphatase with Bound Sulfate also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Crystal Structure of Red Kidney Bean Purple Acid Phosphatase with Bound Sulfate (pdb code 2qfr). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Red Kidney Bean Purple Acid Phosphatase with Bound Sulfate, PDB code: 2qfr:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Red Kidney Bean Purple Acid Phosphatase with Bound Sulfate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Red Kidney Bean Purple Acid Phosphatase with Bound Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe433 b:22.2 occ:1.00 OD2 A:ASP135 1.8 20.9 1.0 OH A:TYR167 2.0 18.4 1.0 OD2 A:ASP164 2.1 21.4 1.0 O A:HOH454 2.2 29.2 1.0 NE2 A:HIS325 2.4 26.0 1.0 CG A:ASP135 3.0 19.5 1.0 ZN A:ZN434 3.1 16.8 1.0 CG A:ASP164 3.1 20.5 1.0 CZ A:TYR167 3.2 18.4 1.0 CE1 A:HIS325 3.3 26.2 1.0 CD2 A:HIS325 3.3 23.7 1.0 CB A:ASP135 3.6 19.0 1.0 CB A:ASP164 3.6 19.6 1.0 CE2 A:TYR167 3.8 19.2 1.0 O A:HIS323 3.9 19.5 1.0 OD1 A:ASP135 4.0 19.4 1.0 O1 A:SO4435 4.1 72.9 1.0 CD2 A:HIS202 4.2 22.8 1.0 CE1 A:HIS286 4.2 15.7 1.0 OD1 A:ASP164 4.2 19.0 1.0 CA A:HIS323 4.3 15.7 1.0 NE2 A:HIS286 4.3 15.7 1.0 CE1 A:TYR167 4.3 17.9 1.0 C A:HIS323 4.4 17.3 1.0 ND1 A:HIS325 4.4 26.8 1.0 OD1 A:ASN201 4.4 25.2 1.0 CG A:HIS325 4.5 24.6 1.0 CA A:ASP135 4.6 20.2 1.0 NE2 A:HIS202 4.6 24.1 1.0 O3 A:SO4435 4.6 73.4 1.0 N A:HIS323 4.7 14.2 1.0 ND1 A:HIS323 4.8 18.7 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Red Kidney Bean Purple Acid Phosphatase with Bound Sulfate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Red Kidney Bean Purple Acid Phosphatase with Bound Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe433 b:27.5 occ:1.00 OD2 B:ASP135 1.8 24.2 1.0 OH B:TYR167 1.9 13.1 1.0 O B:HOH454 2.0 26.8 1.0 OD2 B:ASP164 2.2 22.4 1.0 NE2 B:HIS325 2.3 24.6 1.0 CG B:ASP135 2.9 21.5 1.0 ZN B:ZN434 3.1 20.4 1.0 CZ B:TYR167 3.2 14.4 1.0 CD2 B:HIS325 3.2 23.4 1.0 CG B:ASP164 3.2 20.2 1.0 CE1 B:HIS325 3.3 25.2 1.0 CB B:ASP135 3.5 21.2 1.0 CB B:ASP164 3.6 21.0 1.0 O B:HIS323 3.8 16.6 1.0 CE2 B:TYR167 3.8 14.5 1.0 OD1 B:ASP135 4.0 20.8 1.0 O2 B:SO4435 4.1 70.5 1.0 CE1 B:TYR167 4.2 14.7 1.0 CA B:HIS323 4.2 15.3 1.0 CD2 B:HIS202 4.2 22.1 1.0 OD1 B:ASP164 4.3 18.4 1.0 CE1 B:HIS286 4.3 15.7 1.0 NE2 B:HIS286 4.3 16.4 1.0 O4 B:SO4435 4.3 71.8 1.0 ND1 B:HIS325 4.4 25.5 1.0 CG B:HIS325 4.4 23.7 1.0 C B:HIS323 4.4 16.8 1.0 CA B:ASP135 4.6 20.2 1.0 OD1 B:ASN201 4.7 22.4 1.0 N B:HIS323 4.7 14.8 1.0 S B:SO4435 4.7 71.5 1.0 ND1 B:HIS323 4.7 15.7 1.0 NE2 B:HIS202 4.8 21.9 1.0 O3 B:SO4435 4.9 71.8 1.0

G.Schenk, T.W.Elliott, E.Leung, L.E.Carrington, N.Mitic, L.R.Gahan, L.W.Guddat. Crystal Structures of A Purple Acid Phosphatase, Representing Different Steps of This Enzyme'S Catalytic Cycle. Bmc Struct.Biol. V. 8 6 2008.
ISSN: ESSN 1472-6807
PubMed: 18234116
DOI: 10.1186/1472-6807-8-6