Iron in PDB 2hr5: PF1283- Rubrerythrin From Pyrococcus Furiosus Iron Bound Form

The structure of PF1283- Rubrerythrin From Pyrococcus Furiosus Iron Bound Form, PDB code: 2hr5 was solved by B.D.Dillard, J.R.Ruble, L.Chen, Z.J.Liu, F.E.Jenney Jr., M.W.W.Adams, J.P.Rose, B.C.Wang, Southeast Collaboratory For Structural Genomics(Secsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.71 / 2.70
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.402, 105.402, 80.095, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 24.7

The binding sites of Iron atom in the PF1283- Rubrerythrin From Pyrococcus Furiosus Iron Bound Form (pdb code 2hr5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the PF1283- Rubrerythrin From Pyrococcus Furiosus Iron Bound Form, PDB code: 2hr5:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the PF1283- Rubrerythrin From Pyrococcus Furiosus Iron Bound Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of PF1283- Rubrerythrin From Pyrococcus Furiosus Iron Bound Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:15.4 occ:0.90 SG A:CYS142 2.2 19.5 1.0 SG A:CYS157 2.3 17.7 1.0 SG A:CYS160 2.3 20.8 1.0 SG A:CYS145 2.3 19.7 1.0 CB A:CYS157 3.1 18.9 1.0 CB A:CYS142 3.2 21.8 1.0 CB A:CYS145 3.4 17.1 1.0 CB A:CYS160 3.6 18.8 1.0 N A:CYS160 3.7 19.4 1.0 N A:CYS145 4.0 19.1 1.0 CA A:CYS160 4.2 20.1 1.0 CA A:CYS145 4.2 18.4 1.0 CB A:ILE144 4.3 19.9 1.0 CB A:ALA162 4.4 20.8 1.0 CB A:TYR147 4.4 15.8 1.0 CA A:CYS157 4.6 19.0 1.0 CA A:CYS142 4.6 21.3 1.0 C A:VAL159 4.7 19.0 1.0 CB A:VAL159 4.7 18.7 1.0 C A:CYS160 4.8 21.0 1.0 N A:GLY161 4.8 21.1 1.0 C A:ILE144 4.8 20.2 1.0 C A:CYS145 4.8 17.7 1.0 N A:GLY146 4.8 17.4 1.0 N A:ALA162 4.8 22.4 1.0 N A:TYR147 4.9 15.2 1.0 CA A:VAL159 4.9 18.8 1.0 N A:VAL159 4.9 19.9 1.0 C A:CYS142 5.0 22.2 1.0 CG1 A:ILE144 5.0 20.9 1.0

Iron binding site 2 out of 6 in the PF1283- Rubrerythrin From Pyrococcus Furiosus Iron Bound Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of PF1283- Rubrerythrin From Pyrococcus Furiosus Iron Bound Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:21.9 occ:1.00 OE2 A:GLU114 2.3 19.2 1.0 OE2 B:GLU52 2.3 17.0 1.0 ND1 A:HIS117 2.3 19.2 1.0 OE2 A:GLU80 2.3 23.9 1.0 OE1 A:GLU80 2.4 22.0 1.0 CD A:GLU80 2.6 21.4 1.0 CD B:GLU52 3.1 15.2 1.0 CD A:GLU114 3.1 20.0 1.0 CE1 A:HIS117 3.1 17.9 1.0 OE1 B:GLU52 3.2 14.1 1.0 CG A:HIS117 3.4 17.7 1.0 OE1 A:GLU114 3.6 17.0 1.0 FE B:FE202 3.8 19.7 1.0 CB A:HIS117 3.8 16.8 1.0 CG A:GLU80 4.1 17.9 1.0 CG A:GLU114 4.2 17.4 1.0 CA A:GLU114 4.2 16.6 1.0 OE2 A:GLU83 4.2 34.5 1.0 CB A:GLU114 4.3 16.9 1.0 NE2 A:HIS117 4.3 15.5 1.0 CG2 B:ILE48 4.4 15.2 1.0 CD2 A:HIS117 4.5 16.4 1.0 CG B:GLU52 4.5 14.0 1.0 CE1 B:TYR26 4.7 15.4 1.0 N A:GLU114 4.8 15.6 1.0 OH B:TYR26 4.8 16.3 1.0 CE1 B:HIS55 5.0 18.8 1.0 CB A:GLU80 5.0 16.8 1.0

Iron binding site 3 out of 6 in the PF1283- Rubrerythrin From Pyrococcus Furiosus Iron Bound Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of PF1283- Rubrerythrin From Pyrococcus Furiosus Iron Bound Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:22.2 occ:1.00 OE1 B:GLU114 2.3 19.1 1.0 OE2 A:GLU19 2.3 26.1 1.0 OE1 A:GLU19 2.3 23.0 1.0 ND1 A:HIS55 2.3 12.9 1.0 OE2 A:GLU52 2.3 17.4 1.0 CD A:GLU19 2.6 19.2 1.0 CE1 A:HIS55 3.0 14.1 1.0 CD B:GLU114 3.1 19.8 1.0 OE2 B:GLU114 3.2 14.7 1.0 CD A:GLU52 3.2 21.0 1.0 CG A:HIS55 3.5 11.6 1.0 FE B:FE201 3.6 23.3 1.0 OE1 A:GLU52 3.8 26.5 1.0 CB A:HIS55 3.9 12.3 1.0 CG A:GLU19 4.1 11.5 1.0 CA A:GLU52 4.1 19.1 1.0 CB A:GLU52 4.3 19.9 1.0 NE2 A:HIS55 4.3 16.9 1.0 CG A:GLU52 4.3 19.8 1.0 CD2 A:HIS55 4.5 12.9 1.0 CG B:GLU114 4.5 18.5 1.0 OE1 B:GLU83 4.6 33.9 1.0 CB B:ALA110 4.6 12.8 1.0 OH B:TYR88 4.7 17.2 1.0 CB A:GLU19 4.8 12.6 1.0 CE2 B:TYR88 4.8 13.7 1.0 O A:ALA51 4.8 18.2 1.0 N A:GLU52 4.9 17.8 1.0 CE1 B:HIS117 4.9 20.5 1.0 ND1 B:HIS117 4.9 21.8 1.0 O B:ALA110 5.0 15.9 1.0 O A:GLU52 5.0 18.6 1.0

Iron binding site 4 out of 6 in the PF1283- Rubrerythrin From Pyrococcus Furiosus Iron Bound Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of PF1283- Rubrerythrin From Pyrococcus Furiosus Iron Bound Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:17.4 occ:0.90 SG B:CYS160 2.2 17.5 1.0 SG B:CYS145 2.3 20.7 1.0 SG B:CYS142 2.3 19.7 1.0 SG B:CYS157 2.3 19.5 1.0 CB B:CYS142 3.3 19.8 1.0 CB B:CYS157 3.3 20.5 1.0 CB B:CYS160 3.4 17.0 1.0 CB B:CYS145 3.4 18.3 1.0 N B:CYS160 3.7 17.3 1.0 N B:CYS145 3.9 19.2 1.0 CA B:CYS160 4.1 17.6 1.0 CA B:CYS145 4.2 18.5 1.0 CB B:TYR147 4.3 20.3 1.0 CB B:ALA162 4.5 23.6 1.0 CB B:ILE144 4.5 21.1 1.0 CB B:VAL159 4.6 17.9 1.0 C B:CYS160 4.7 18.9 1.0 CA B:CYS142 4.7 18.0 1.0 C B:VAL159 4.7 17.2 1.0 C B:ILE144 4.8 20.1 1.0 CA B:CYS157 4.8 19.7 1.0 C B:CYS145 4.8 18.8 1.0 N B:TYR147 4.8 19.7 1.0 N B:GLY146 4.9 19.4 1.0 N B:ALA162 4.9 21.6 1.0 N B:GLY161 4.9 19.9 1.0 N B:ILE144 5.0 18.7 1.0 CA B:VAL159 5.0 17.7 1.0

Iron binding site 5 out of 6 in the PF1283- Rubrerythrin From Pyrococcus Furiosus Iron Bound Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of PF1283- Rubrerythrin From Pyrococcus Furiosus Iron Bound Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:23.3 occ:1.00 OE2 B:GLU114 2.3 14.7 1.0 OE1 A:GLU52 2.3 26.5 1.0 OE1 B:GLU80 2.3 25.8 1.0 OE2 B:GLU80 2.4 21.9 1.0 ND1 B:HIS117 2.4 21.8 1.0 CD B:GLU80 2.7 18.1 1.0 OE2 A:GLU52 3.0 17.4 1.0 CD A:GLU52 3.0 21.0 1.0 CD B:GLU114 3.2 19.8 1.0 CE1 B:HIS117 3.3 20.5 1.0 CG B:HIS117 3.4 21.8 1.0 FE A:FE202 3.6 22.2 1.0 OE1 B:GLU114 3.7 19.1 1.0 CB B:HIS117 3.7 20.6 1.0 CG B:GLU80 4.2 16.5 1.0 OE1 B:GLU83 4.2 33.9 1.0 CG2 A:ILE48 4.3 11.5 1.0 CA B:GLU114 4.3 17.6 1.0 CG B:GLU114 4.3 18.5 1.0 NE2 B:HIS117 4.4 22.4 1.0 CB B:GLU114 4.4 17.8 1.0 CD2 B:HIS117 4.5 21.6 1.0 CG A:GLU52 4.5 19.8 1.0 CE1 A:TYR26 4.6 15.7 1.0 OH A:TYR26 4.6 20.0 1.0 N B:GLU114 4.9 17.3 1.0 O B:ALA113 4.9 18.4 1.0 CE1 A:HIS55 5.0 14.1 1.0

Iron binding site 6 out of 6 in the PF1283- Rubrerythrin From Pyrococcus Furiosus Iron Bound Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of PF1283- Rubrerythrin From Pyrococcus Furiosus Iron Bound Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe202 b:19.7 occ:1.00 OE1 B:GLU19 2.3 19.2 1.0 OE1 A:GLU114 2.3 17.0 1.0 OE1 B:GLU52 2.3 14.1 1.0 ND1 B:HIS55 2.3 17.3 1.0 OE2 B:GLU19 2.4 18.3 1.0 CD B:GLU19 2.6 17.2 1.0 CE1 B:HIS55 3.2 18.8 1.0 CD A:GLU114 3.2 20.0 1.0 CG B:HIS55 3.4 13.8 1.0 CD B:GLU52 3.4 15.2 1.0 OE2 A:GLU114 3.4 19.2 1.0 CB B:HIS55 3.7 11.7 1.0 FE A:FE201 3.8 21.9 1.0 OE2 B:GLU52 4.0 17.0 1.0 CG B:GLU19 4.1 11.4 1.0 CB A:ALA110 4.2 16.3 1.0 CA B:GLU52 4.3 15.5 1.0 NE2 B:HIS55 4.3 20.2 1.0 CB B:GLU52 4.4 16.8 1.0 CD2 B:HIS55 4.4 15.3 1.0 OE2 A:GLU83 4.5 34.5 1.0 CG B:GLU52 4.5 14.0 1.0 CG A:GLU114 4.6 17.4 1.0 OH A:TYR88 4.6 10.4 1.0 CE2 A:TYR88 4.7 10.0 1.0 CB B:GLU19 4.8 11.8 1.0 O B:ALA51 4.9 17.3 1.0 CA A:ALA110 4.9 17.9 1.0

B.D.Dillard, S.M.Clarkson, K.R.Strand, J.R.Ruble, L.Chen, Z.J.Liu, F.E.Jenney Jr., M.W.W.Adams, J.P.Rose, B.C.Wang. Crystal Structure of Iron Bound Rubrerythrin From Pyrococcus Furiosus To Be Published.