Iron in PDB 3pza: Fully Reduced (All-Ferrous) Pyrococcus Rubrerythrin After A 10 Second Exposure to Peroxide.

The structure of Fully Reduced (All-Ferrous) Pyrococcus Rubrerythrin After A 10 Second Exposure to Peroxide., PDB code: 3pza was solved by B.D.Dillard, J.M.Demick, M.W.Adams, W.N.Lanzilotta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.71 / 1.85
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	104.602, 104.602, 79.591, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 20

The binding sites of Iron atom in the Fully Reduced (All-Ferrous) Pyrococcus Rubrerythrin After A 10 Second Exposure to Peroxide. (pdb code 3pza). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Fully Reduced (All-Ferrous) Pyrococcus Rubrerythrin After A 10 Second Exposure to Peroxide., PDB code: 3pza:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the Fully Reduced (All-Ferrous) Pyrococcus Rubrerythrin After A 10 Second Exposure to Peroxide.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Fully Reduced (All-Ferrous) Pyrococcus Rubrerythrin After A 10 Second Exposure to Peroxide. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1 b:19.8 occ:1.00 SG A:CYS157 2.3 20.3 1.0 SG A:CYS145 2.3 21.3 1.0 SG A:CYS142 2.3 20.3 1.0 SG A:CYS160 2.3 24.0 1.0 CB A:CYS157 3.2 17.1 1.0 CB A:CYS142 3.3 16.8 1.0 CB A:CYS145 3.5 22.4 1.0 CB A:CYS160 3.5 21.6 1.0 N A:CYS160 3.8 21.9 1.0 N A:CYS145 3.9 19.5 1.0 CA A:CYS160 4.2 22.3 1.0 CB A:TYR147 4.2 18.7 1.0 CA A:CYS145 4.3 19.7 1.0 CB A:ILE144 4.5 22.1 1.0 CB A:ALA162 4.6 22.0 1.0 CA A:CYS157 4.6 15.6 1.0 CB A:VAL159 4.6 22.0 1.0 CA A:CYS142 4.7 16.8 1.0 C A:ILE144 4.8 21.0 1.0 N A:TYR147 4.8 18.8 1.0 C A:VAL159 4.8 22.2 1.0 C A:CYS145 4.8 19.9 1.0 C A:CYS160 4.9 25.3 1.0 N A:GLY161 4.9 23.5 1.0 N A:ALA162 4.9 23.6 1.0 N A:GLY146 4.9 16.8 1.0 N A:ILE144 5.0 19.9 1.0 CA A:ILE144 5.0 20.9 1.0

Iron binding site 2 out of 6 in the Fully Reduced (All-Ferrous) Pyrococcus Rubrerythrin After A 10 Second Exposure to Peroxide.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Fully Reduced (All-Ferrous) Pyrococcus Rubrerythrin After A 10 Second Exposure to Peroxide. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe173 b:17.4 occ:1.00 OE2 A:GLU114 1.9 20.6 1.0 OE2 B:GLU52 2.0 17.0 1.0 OE1 A:GLU80 2.0 23.5 1.0 OE2 A:GLU80 2.1 18.6 1.0 O2 A:PEO172 2.1 31.4 1.0 ND1 A:HIS117 2.1 13.6 1.0 CD A:GLU80 2.5 18.7 1.0 CD B:GLU52 2.9 16.5 1.0 CE1 A:HIS117 3.0 14.7 1.0 CD A:GLU114 3.0 19.8 1.0 OE1 B:GLU52 3.2 20.7 1.0 O1 A:PEO172 3.2 29.7 1.0 CG A:HIS117 3.2 16.5 1.0 CB A:HIS117 3.6 14.7 1.0 FE B:FE2174 3.8 11.8 0.8 OE1 A:GLU114 3.8 15.8 1.0 CG A:GLU80 4.0 17.8 1.0 CA A:GLU114 4.1 20.0 1.0 CG A:GLU114 4.1 21.7 1.0 CB A:GLU114 4.2 19.7 1.0 NE2 A:HIS117 4.2 18.0 1.0 CG B:GLU52 4.3 16.9 1.0 CD2 A:HIS117 4.3 17.2 1.0 OE2 A:GLU83 4.3 42.4 1.0 CG2 B:ILE48 4.4 16.4 1.0 CE1 B:TYR26 4.6 17.6 1.0 OH B:TYR26 4.7 21.4 1.0 N A:GLU114 4.7 17.7 1.0 CB A:GLU80 4.9 15.8 1.0 CE1 B:HIS55 4.9 19.6 1.0

Iron binding site 3 out of 6 in the Fully Reduced (All-Ferrous) Pyrococcus Rubrerythrin After A 10 Second Exposure to Peroxide.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Fully Reduced (All-Ferrous) Pyrococcus Rubrerythrin After A 10 Second Exposure to Peroxide. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe174 b:11.9 occ:0.75 OE2 A:GLU52 1.9 17.5 1.0 OE1 B:GLU114 2.0 20.8 1.0 O2 B:PEO1 2.0 29.2 1.0 OE2 A:GLU19 2.0 20.7 1.0 OE1 A:GLU19 2.1 19.2 1.0 ND1 A:HIS55 2.1 18.1 1.0 CD A:GLU19 2.5 23.2 1.0 CD B:GLU114 2.8 19.6 1.0 CE1 A:HIS55 3.0 16.7 1.0 CD A:GLU52 3.0 20.5 1.0 OE2 B:GLU114 3.0 21.8 1.0 O1 B:PEO1 3.2 32.8 1.0 CG A:HIS55 3.3 15.3 1.0 OE1 A:GLU52 3.6 18.5 1.0 CB A:HIS55 3.7 14.2 1.0 FE B:FE2173 3.8 18.7 1.0 CG A:GLU19 4.0 19.1 1.0 CA A:GLU52 4.2 16.5 1.0 CG A:GLU52 4.2 15.7 1.0 NE2 A:HIS55 4.2 19.8 1.0 CG B:GLU114 4.3 17.7 1.0 CB A:GLU52 4.3 16.4 1.0 OE1 B:GLU83 4.3 38.0 1.0 CD2 A:HIS55 4.4 19.5 1.0 CB B:ALA110 4.5 16.5 1.0 OH B:TYR88 4.7 18.6 1.0 CE2 B:TYR88 4.8 16.9 1.0 CE1 B:HIS117 4.9 19.8 1.0 CB A:GLU19 4.9 17.4 1.0 N A:GLU52 4.9 15.4 1.0 ND1 B:HIS117 5.0 20.4 1.0 O A:ALA51 5.0 16.9 1.0

Iron binding site 4 out of 6 in the Fully Reduced (All-Ferrous) Pyrococcus Rubrerythrin After A 10 Second Exposure to Peroxide.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Fully Reduced (All-Ferrous) Pyrococcus Rubrerythrin After A 10 Second Exposure to Peroxide. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe172 b:19.8 occ:1.00 SG B:CYS160 2.3 19.9 1.0 SG B:CYS142 2.3 19.1 1.0 SG B:CYS145 2.3 20.6 1.0 SG B:CYS157 2.3 21.3 1.0 CB B:CYS157 3.1 20.3 1.0 CB B:CYS142 3.2 16.5 1.0 CB B:CYS160 3.4 20.8 1.0 CB B:CYS145 3.5 22.3 1.0 N B:CYS145 3.8 19.3 1.0 N B:CYS160 3.9 20.6 1.0 CA B:CYS145 4.2 20.2 1.0 CA B:CYS160 4.2 20.5 1.0 CB B:TYR147 4.2 22.1 1.0 CB B:ILE144 4.3 22.6 1.0 CB B:ALA162 4.4 18.6 1.0 CA B:CYS157 4.6 20.4 1.0 CA B:CYS142 4.6 17.8 1.0 C B:ILE144 4.7 22.2 1.0 CB B:VAL159 4.8 18.8 1.0 N B:TYR147 4.8 19.8 1.0 C B:CYS145 4.8 20.1 1.0 N B:GLY146 4.9 18.5 1.0 N B:ALA162 4.9 20.6 1.0 N B:GLY161 4.9 20.9 1.0 C B:VAL159 4.9 19.5 1.0 C B:CYS160 4.9 20.1 1.0 CA B:ILE144 4.9 21.7 1.0 CG2 B:ILE144 5.0 23.8 1.0 N B:ILE144 5.0 21.9 1.0

Iron binding site 5 out of 6 in the Fully Reduced (All-Ferrous) Pyrococcus Rubrerythrin After A 10 Second Exposure to Peroxide.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Fully Reduced (All-Ferrous) Pyrococcus Rubrerythrin After A 10 Second Exposure to Peroxide. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe173 b:18.7 occ:1.00 OE2 B:GLU114 1.9 21.8 1.0 OE2 B:GLU80 2.0 25.6 1.0 OE1 A:GLU52 2.0 18.5 1.0 OE1 B:GLU80 2.1 18.7 1.0 O1 B:PEO1 2.1 32.8 1.0 ND1 B:HIS117 2.1 20.4 1.0 CD B:GLU80 2.5 23.3 1.0 CD A:GLU52 2.9 20.5 1.0 CD B:GLU114 3.0 19.6 1.0 CE1 B:HIS117 3.1 19.8 1.0 O2 B:PEO1 3.2 29.2 1.0 OE2 A:GLU52 3.2 17.5 1.0 CG B:HIS117 3.2 17.8 1.0 CB B:HIS117 3.6 19.1 1.0 OE1 B:GLU114 3.8 20.8 1.0 FE A:FE2174 3.8 11.9 0.8 OE1 B:GLU83 4.0 38.0 1.0 CA B:GLU114 4.0 17.8 1.0 CG B:GLU80 4.0 20.0 1.0 CG B:GLU114 4.1 17.7 1.0 CB B:GLU114 4.2 17.6 1.0 NE2 B:HIS117 4.2 19.6 1.0 CD2 B:HIS117 4.4 16.9 1.0 CG A:GLU52 4.4 15.7 1.0 CG2 A:ILE48 4.5 19.6 1.0 OH A:TYR26 4.5 23.1 1.0 CE1 A:TYR26 4.5 18.5 1.0 N B:GLU114 4.8 18.4 1.0 CE1 A:HIS55 4.9 16.7 1.0 CB B:GLU80 5.0 19.9 1.0

Iron binding site 6 out of 6 in the Fully Reduced (All-Ferrous) Pyrococcus Rubrerythrin After A 10 Second Exposure to Peroxide.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Fully Reduced (All-Ferrous) Pyrococcus Rubrerythrin After A 10 Second Exposure to Peroxide. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe174 b:11.8 occ:0.75 OE1 B:GLU52 1.9 20.7 1.0 OE1 A:GLU114 1.9 15.8 1.0 O1 A:PEO172 2.0 29.7 1.0 OE1 B:GLU19 2.1 20.9 1.0 OE2 B:GLU19 2.1 18.3 1.0 ND1 B:HIS55 2.1 17.3 1.0 CD B:GLU19 2.5 19.9 1.0 CD A:GLU114 2.8 19.8 1.0 CE1 B:HIS55 3.0 19.6 1.0 OE2 A:GLU114 3.0 20.6 1.0 CD B:GLU52 3.0 16.5 1.0 O2 A:PEO172 3.2 31.4 1.0 CG B:HIS55 3.2 14.9 1.0 CB B:HIS55 3.7 15.6 1.0 OE2 B:GLU52 3.7 17.0 1.0 FE A:FE2173 3.8 17.4 1.0 OE2 A:GLU83 4.0 42.4 1.0 CG B:GLU19 4.0 18.1 1.0 CA B:GLU52 4.1 15.4 1.0 CG B:GLU52 4.2 16.9 1.0 NE2 B:HIS55 4.2 18.8 1.0 CG A:GLU114 4.2 21.7 1.0 CB B:GLU52 4.2 16.1 1.0 CD2 B:HIS55 4.3 18.0 1.0 CB A:ALA110 4.6 17.4 1.0 OH A:TYR88 4.7 20.2 1.0 CE2 A:TYR88 4.8 16.9 1.0 CB B:GLU19 4.9 16.8 1.0 CE1 A:HIS117 4.9 14.7 1.0 O B:ALA51 4.9 16.5 1.0 ND1 A:HIS117 5.0 13.6 1.0 N B:GLU52 5.0 14.6 1.0

B.D.Dillard, J.M.Demick, M.W.Adams, W.N.Lanzilotta. A Cryo-Crystallographic Time Course For Peroxide Reduction By Rubrerythrin From Pyrococcus Furiosus. J.Biol.Inorg.Chem. V. 16 949 2011.
ISSN: ISSN 0949-8257
PubMed: 21647777
DOI: 10.1007/S00775-011-0795-6