Iron in PDB 2pia: Phthalate Dioxygenase Reductase: A Modular Structure For Electron Transfer From Pyridine Nucleotides to [2FE-2S]

The structure of Phthalate Dioxygenase Reductase: A Modular Structure For Electron Transfer From Pyridine Nucleotides to [2FE-2S], PDB code: 2pia was solved by C.C.Correll, C.J.Batie, D.P.Ballou, M.L.Ludwig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.00
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	114.400, 114.400, 77.800, 90.00, 90.00, 120.00
R / Rfree (%)	18.6 / n/a

The binding sites of Iron atom in the Phthalate Dioxygenase Reductase: A Modular Structure For Electron Transfer From Pyridine Nucleotides to [2FE-2S] (pdb code 2pia). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Phthalate Dioxygenase Reductase: A Modular Structure For Electron Transfer From Pyridine Nucleotides to [2FE-2S], PDB code: 2pia:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Phthalate Dioxygenase Reductase: A Modular Structure For Electron Transfer From Pyridine Nucleotides to [2FE-2S]


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Phthalate Dioxygenase Reductase: A Modular Structure For Electron Transfer From Pyridine Nucleotides to [2FE-2S] within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe323 b:21.7 occ:1.00 FE1 A:FES323 0.0 21.7 1.0 S2 A:FES323 2.1 22.9 1.0 S1 A:FES323 2.1 22.5 1.0 SG A:CYS272 2.3 22.1 1.0 SG A:CYS277 2.4 25.8 1.0 FE2 A:FES323 2.6 20.1 1.0 CB A:CYS277 3.4 23.0 1.0 CB A:CYS272 3.5 21.0 1.0 N A:CYS277 3.6 25.4 1.0 N A:CYS272 3.7 24.0 1.0 N A:GLU273 3.8 23.4 1.0 N A:GLY278 3.9 27.0 1.0 CA A:CYS277 3.9 24.8 1.0 CA A:CYS272 4.0 25.0 1.0 SG A:CYS308 4.2 18.5 1.0 C A:CYS277 4.2 26.7 1.0 N A:SER279 4.3 25.1 1.0 N A:GLY275 4.4 22.6 1.0 C A:CYS272 4.4 25.5 1.0 N A:THR276 4.4 28.6 1.0 N A:SER271 4.6 32.2 1.0 N A:SER274 4.6 22.6 1.0 OG A:SER271 4.7 36.0 1.0 SG A:CYS280 4.7 21.0 1.0 CA A:GLY275 4.7 25.6 1.0 CA A:GLU273 4.7 22.4 1.0 C A:SER271 4.8 30.8 1.0 C A:THR276 4.8 27.6 1.0 CB A:SER279 4.9 27.3 1.0 CA A:GLY278 4.9 26.9 1.0 N A:CYS280 4.9 23.9 1.0 C A:GLY275 4.9 27.7 1.0

Iron binding site 2 out of 2 in the Phthalate Dioxygenase Reductase: A Modular Structure For Electron Transfer From Pyridine Nucleotides to [2FE-2S]


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Phthalate Dioxygenase Reductase: A Modular Structure For Electron Transfer From Pyridine Nucleotides to [2FE-2S] within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe323 b:20.1 occ:1.00 FE2 A:FES323 0.0 20.1 1.0 SG A:CYS308 2.2 18.5 1.0 S1 A:FES323 2.2 22.5 1.0 S2 A:FES323 2.2 22.9 1.0 SG A:CYS280 2.3 21.0 1.0 FE1 A:FES323 2.6 21.7 1.0 CB A:CYS308 3.1 15.2 1.0 CB A:CYS280 3.4 15.9 1.0 N A:CYS280 4.2 23.9 1.0 CE A:MET306 4.2 27.6 1.0 CA A:CYS308 4.3 16.7 1.0 SG A:CYS272 4.3 22.1 1.0 N A:CYS308 4.3 18.2 1.0 N A:GLY275 4.3 22.6 1.0 CA A:CYS280 4.4 23.0 1.0 CA A:GLY275 4.5 25.6 1.0 N A:GLU273 4.6 23.4 1.0 SG A:CYS277 4.7 25.8 1.0 CA A:GLU273 4.7 22.4 1.0 CB A:MET306 4.7 26.0 1.0 N A:SER274 4.9 22.6 1.0 N A:SER279 5.0 25.1 1.0

C.C.Correll, C.J.Batie, D.P.Ballou, M.L.Ludwig. Phthalate Dioxygenase Reductase: A Modular Structure For Electron Transfer From Pyridine Nucleotides to [2FE-2S]. Science V. 258 1604 1992.
ISSN: ISSN 0036-8075
PubMed: 1280857