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

Protein crystallography data

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

Iron Binding Sites:

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 2pia

Go back to Iron Binding Sites List in 2pia
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 2pia

Go back to Iron Binding Sites List in 2pia
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

Reference:

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
Page generated: Thu Jul 17 03:28:25 2025

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