Iron in PDB 1nf6: X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation)

The structure of X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation), PDB code: 1nf6 was solved by S.Macedo, C.V.Romao, E.Mitchell, P.M.Matias, M.Y.Liu, A.V.Xavier, J.Legall, M.Teixeira, P.Lindley, M.A.Carrondo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.35
Space group	P 21 3 1
Cell size a, b, c (Å), α, β, γ (°)	225.790, 225.790, 225.790, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 26.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 32;

Binding sites:

The binding sites of Iron atom in the X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation) (pdb code 1nf6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 32 binding sites of Iron where determined in the X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation), PDB code: 1nf6:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 32 in the X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:30.0 occ:1.00 OE1 A:GLU132 1.9 28.1 1.0 OE2 A:GLU56 2.1 27.6 1.0 ND1 A:HIS135 2.1 19.6 1.0 OE1 A:GLU99 2.2 31.6 1.0 CD A:GLU56 2.8 25.3 1.0 CD A:GLU132 2.9 27.0 1.0 OE1 A:GLU56 2.9 30.2 1.0 CD A:GLU99 3.0 30.2 1.0 CE1 A:HIS135 3.0 19.5 1.0 OE2 A:GLU99 3.1 37.1 1.0 CG A:HIS135 3.2 19.0 1.0 OE2 A:GLU132 3.2 33.2 1.0 CB A:HIS135 3.5 19.0 1.0 O A:HOH1125 3.6 67.9 1.0 CA A:GLU132 4.1 21.3 1.0 CG A:GLU132 4.1 24.1 1.0 NE2 A:HIS135 4.2 19.8 1.0 CG A:GLU56 4.2 21.3 1.0 CD2 A:HIS135 4.3 18.9 1.0 CG2 A:ILE52 4.4 17.1 1.0 CG A:GLU99 4.4 28.2 1.0 CB A:GLU132 4.5 22.3 1.0 CE1 A:HIS59 4.6 18.1 1.0 CE1 A:TYR30 4.7 20.4 1.0 N A:GLU132 4.8 22.1 1.0 ND1 A:HIS59 4.9 19.1 1.0 O A:GLU132 4.9 22.3 1.0 C A:GLU132 5.0 20.6 1.0

Iron binding site 2 out of 32 in the X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1005 b:19.1 occ:0.42 FE A:FEC1005 0.0 19.1 0.4 FE A:FEC1005 0.3 19.0 0.6 NB A:FEC1005 1.7 18.7 0.6 NA A:FEC1005 2.0 18.8 0.4 NB A:FEC1005 2.0 19.7 0.4 ND A:FEC1005 2.0 18.7 0.4 NA A:FEC1005 2.0 18.1 0.6 NC A:FEC1005 2.0 19.4 0.4 NC A:FEC1005 2.0 20.2 0.6 ND A:FEC1005 2.3 18.4 0.6 SD A:MET57 2.4 17.7 1.0 SD B:MET57 2.4 16.9 1.0 C1B A:FEC1005 2.7 18.4 0.6 C4B A:FEC1005 2.8 18.7 0.6 C4A A:FEC1005 2.9 18.5 0.6 C1C A:FEC1005 3.0 20.0 0.6 C4C A:FEC1005 3.0 19.0 0.4 C1A A:FEC1005 3.0 18.2 0.4 C4A A:FEC1005 3.0 19.1 0.4 C1D A:FEC1005 3.0 18.8 0.4 C1C A:FEC1005 3.0 20.1 0.4 C1B A:FEC1005 3.0 19.5 0.4 C4B A:FEC1005 3.0 19.6 0.4 C4D A:FEC1005 3.0 18.4 0.4 C1A A:FEC1005 3.2 18.0 0.6 C4C A:FEC1005 3.2 19.7 0.6 CHB A:FEC1005 3.2 18.5 0.6 CHC A:FEC1005 3.2 19.6 0.6 C4D A:FEC1005 3.3 19.0 0.6 C1D A:FEC1005 3.3 19.3 0.6 CE A:MET57 3.4 13.0 1.0 CHB A:FEC1005 3.4 19.2 0.4 CHA A:FEC1005 3.4 18.3 0.4 CHD A:FEC1005 3.4 18.7 0.4 CHC A:FEC1005 3.4 20.1 0.4 CG B:MET57 3.5 15.4 1.0 CE B:MET57 3.5 13.1 1.0 CHA A:FEC1005 3.6 18.8 0.6 CG A:MET57 3.6 15.6 1.0 CHD A:FEC1005 3.7 19.4 0.6 C2B A:FEC1005 4.0 18.4 0.6 C3B A:FEC1005 4.0 18.5 0.6 CB B:MET57 4.1 15.6 1.0 C3A A:FEC1005 4.2 19.1 0.6 C3C A:FEC1005 4.2 19.4 0.4 C2C A:FEC1005 4.2 20.9 0.4 C2C A:FEC1005 4.3 21.6 0.6 C3A A:FEC1005 4.3 19.3 0.4 C2A A:FEC1005 4.3 18.6 0.4 C2B A:FEC1005 4.3 19.2 0.4 C2D A:FEC1005 4.3 18.0 0.4 C3D A:FEC1005 4.3 18.4 0.4 C3B A:FEC1005 4.3 19.2 0.4 C2A A:FEC1005 4.3 18.4 0.6 C3C A:FEC1005 4.3 19.9 0.6 CB A:MET57 4.4 16.0 1.0 C3D A:FEC1005 4.6 19.7 0.6 C2D A:FEC1005 4.6 19.3 0.6

Iron binding site 3 out of 32 in the X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1005 b:19.0 occ:0.58 FE A:FEC1005 0.0 19.0 0.6 FE A:FEC1005 0.3 19.1 0.4 NA A:FEC1005 1.8 18.8 0.4 NB A:FEC1005 1.8 19.7 0.4 ND A:FEC1005 2.0 18.4 0.6 NC A:FEC1005 2.0 20.2 0.6 NA A:FEC1005 2.0 18.1 0.6 NB A:FEC1005 2.0 18.7 0.6 ND A:FEC1005 2.2 18.7 0.4 NC A:FEC1005 2.2 19.4 0.4 SD A:MET57 2.4 17.7 1.0 SD B:MET57 2.4 16.9 1.0 C4A A:FEC1005 2.7 19.1 0.4 C1B A:FEC1005 2.8 19.5 0.4 C1A A:FEC1005 2.9 18.2 0.4 C4B A:FEC1005 2.9 19.6 0.4 C4D A:FEC1005 3.0 19.0 0.6 C1D A:FEC1005 3.0 19.3 0.6 C4C A:FEC1005 3.0 19.7 0.6 C4A A:FEC1005 3.0 18.5 0.6 C1A A:FEC1005 3.0 18.0 0.6 C1B A:FEC1005 3.0 18.4 0.6 C4B A:FEC1005 3.0 18.7 0.6 C1C A:FEC1005 3.0 20.0 0.6 CHB A:FEC1005 3.1 19.2 0.4 C4D A:FEC1005 3.2 18.4 0.4 C1C A:FEC1005 3.2 20.1 0.4 C1D A:FEC1005 3.3 18.8 0.4 C4C A:FEC1005 3.3 19.0 0.4 CE B:MET57 3.4 13.1 1.0 CHA A:FEC1005 3.4 18.8 0.6 CHA A:FEC1005 3.4 18.3 0.4 CHC A:FEC1005 3.4 19.6 0.6 CHD A:FEC1005 3.4 19.4 0.6 CHB A:FEC1005 3.4 18.5 0.6 CHC A:FEC1005 3.4 20.1 0.4 CE A:MET57 3.5 13.0 1.0 CG A:MET57 3.5 15.6 1.0 CG B:MET57 3.5 15.4 1.0 CHD A:FEC1005 3.7 18.7 0.4 C3A A:FEC1005 4.0 19.3 0.4 C2B A:FEC1005 4.0 19.2 0.4 C2A A:FEC1005 4.1 18.6 0.4 C3B A:FEC1005 4.1 19.2 0.4 CB A:MET57 4.2 16.0 1.0 C3D A:FEC1005 4.2 19.7 0.6 C2D A:FEC1005 4.3 19.3 0.6 C3C A:FEC1005 4.3 19.9 0.6 C2A A:FEC1005 4.3 18.4 0.6 C3A A:FEC1005 4.3 19.1 0.6 C2B A:FEC1005 4.3 18.4 0.6 C2C A:FEC1005 4.3 21.6 0.6 C3B A:FEC1005 4.3 18.5 0.6 CB B:MET57 4.3 15.6 1.0 C2C A:FEC1005 4.4 20.9 0.4 C3D A:FEC1005 4.5 18.4 0.4 C3C A:FEC1005 4.5 19.4 0.4 C2D A:FEC1005 4.5 18.0 0.4

Iron binding site 4 out of 32 in the X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:29.0 occ:1.00 OE1 B:GLU132 1.9 28.3 1.0 OE2 B:GLU56 2.1 28.0 1.0 ND1 B:HIS135 2.1 19.7 1.0 OE1 B:GLU99 2.2 30.9 1.0 CD B:GLU132 2.7 27.0 1.0 CD B:GLU56 2.9 25.6 1.0 OE2 B:GLU132 3.0 33.1 1.0 CD B:GLU99 3.0 30.1 1.0 OE1 B:GLU56 3.0 29.9 1.0 CE1 B:HIS135 3.1 19.1 1.0 OE2 B:GLU99 3.1 36.8 1.0 CG B:HIS135 3.2 19.3 1.0 O B:HOH1299 3.2 30.9 1.0 CB B:HIS135 3.6 18.3 1.0 CA B:GLU132 4.1 21.7 1.0 CG B:GLU132 4.1 24.2 1.0 NE2 B:HIS135 4.2 20.2 1.0 CG B:GLU56 4.3 21.6 1.0 CD2 B:HIS135 4.3 18.6 1.0 CG B:GLU99 4.4 28.1 1.0 CB B:GLU132 4.5 21.6 1.0 CE1 B:HIS59 4.5 17.9 1.0 CG2 B:ILE52 4.5 17.5 1.0 CE1 B:TYR30 4.7 20.8 1.0 O B:GLU132 4.8 22.9 1.0 N B:GLU132 4.8 22.8 1.0 ND1 B:HIS59 4.8 18.6 1.0 O B:GLU131 4.9 22.6 1.0 C B:GLU132 5.0 20.6 1.0

Iron binding site 5 out of 32 in the X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe200 b:32.4 occ:1.00 OE1 C:GLU132 1.9 28.0 1.0 OE2 C:GLU56 2.1 27.3 1.0 ND1 C:HIS135 2.1 19.8 1.0 OE1 C:GLU99 2.2 31.9 1.0 CD C:GLU56 2.8 25.5 1.0 CD C:GLU132 2.9 26.9 1.0 OE1 C:GLU56 2.9 30.6 1.0 CD C:GLU99 3.0 30.3 1.0 CE1 C:HIS135 3.1 18.9 1.0 OE2 C:GLU99 3.1 36.2 1.0 CG C:HIS135 3.2 19.5 1.0 O C:HOH9788 3.2 74.6 1.0 OE2 C:GLU132 3.2 33.4 1.0 CB C:HIS135 3.5 19.5 1.0 CG C:GLU132 4.1 24.0 1.0 CA C:GLU132 4.1 21.3 1.0 NE2 C:HIS135 4.2 19.8 1.0 CD2 C:HIS135 4.3 19.2 1.0 CG C:GLU56 4.3 20.9 1.0 CG C:GLU99 4.4 27.7 1.0 CB C:GLU132 4.4 22.0 1.0 CG2 C:ILE52 4.5 17.3 1.0 CE1 C:HIS59 4.7 18.9 1.0 CE1 C:TYR30 4.8 20.4 1.0 ND1 C:HIS59 4.9 19.4 1.0 N C:GLU132 4.9 22.2 1.0 O C:GLU132 4.9 23.1 1.0

Iron binding site 6 out of 32 in the X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1305 b:19.9 occ:0.47 FE C:FEC1305 0.0 19.9 0.5 FE C:FEC1305 0.3 22.2 0.5 NB C:FEC1305 1.7 20.0 0.5 NA C:FEC1305 1.9 18.4 0.5 ND C:FEC1305 2.0 18.9 0.5 NC C:FEC1305 2.0 19.8 0.5 NA C:FEC1305 2.0 19.1 0.5 NB C:FEC1305 2.0 20.2 0.5 NC C:FEC1305 2.1 20.7 0.5 ND C:FEC1305 2.3 20.0 0.5 SD D:MET57 2.4 18.9 1.0 SD C:MET57 2.4 18.9 1.0 C1B C:FEC1305 2.7 19.2 0.5 C4B C:FEC1305 2.8 19.6 0.5 C4A C:FEC1305 2.9 19.0 0.5 C1A C:FEC1305 3.0 18.3 0.5 C4A C:FEC1305 3.0 19.5 0.5 C1D C:FEC1305 3.0 18.9 0.5 C4C C:FEC1305 3.0 19.3 0.5 C1B C:FEC1305 3.0 19.6 0.5 C4D C:FEC1305 3.0 18.7 0.5 C1C C:FEC1305 3.0 20.7 0.5 C1C C:FEC1305 3.0 21.1 0.5 C4B C:FEC1305 3.0 20.1 0.5 C1A C:FEC1305 3.1 18.3 0.5 CHB C:FEC1305 3.1 19.0 0.5 CE C:MET57 3.2 12.8 1.0 C4C C:FEC1305 3.2 20.4 0.5 CHC C:FEC1305 3.3 20.7 0.5 C4D C:FEC1305 3.3 19.8 0.5 C1D C:FEC1305 3.4 19.3 0.5 CHA C:FEC1305 3.4 18.5 0.5 CHD C:FEC1305 3.4 18.9 0.5 CHC C:FEC1305 3.4 20.5 0.5 CHB C:FEC1305 3.4 19.3 0.5 CHA C:FEC1305 3.6 19.0 0.5 CE D:MET57 3.6 12.9 1.0 CG C:MET57 3.6 16.1 1.0 CHD C:FEC1305 3.7 19.7 0.5 CG D:MET57 3.7 16.0 1.0 C2B C:FEC1305 4.0 19.1 0.5 C3B C:FEC1305 4.0 19.9 0.5 C3A C:FEC1305 4.1 19.2 0.5 CB D:MET57 4.2 16.4 1.0 C2A C:FEC1305 4.2 18.8 0.5 C2A C:FEC1305 4.3 18.7 0.5 C3A C:FEC1305 4.3 19.5 0.5 C3C C:FEC1305 4.3 19.8 0.5 C2D C:FEC1305 4.3 18.1 0.5 C3D C:FEC1305 4.3 18.6 0.5 C2C C:FEC1305 4.3 21.1 0.5 C2B C:FEC1305 4.3 19.3 0.5 C3B C:FEC1305 4.3 19.5 0.5 C2C C:FEC1305 4.3 21.5 0.5 CB C:MET57 4.4 16.3 1.0 C3C C:FEC1305 4.4 20.2 0.5 C3D C:FEC1305 4.5 19.8 0.5 C2D C:FEC1305 4.6 17.9 0.5

Iron binding site 7 out of 32 in the X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1305 b:22.2 occ:0.54 FE C:FEC1305 0.0 22.2 0.5 FE C:FEC1305 0.3 19.9 0.5 NB C:FEC1305 1.7 20.2 0.5 NA C:FEC1305 1.8 19.1 0.5 NC C:FEC1305 2.0 20.7 0.5 NA C:FEC1305 2.0 18.4 0.5 NB C:FEC1305 2.0 20.0 0.5 ND C:FEC1305 2.0 20.0 0.5 NC C:FEC1305 2.2 19.8 0.5 ND C:FEC1305 2.3 18.9 0.5 SD D:MET57 2.4 18.9 1.0 SD C:MET57 2.4 18.9 1.0 C1B C:FEC1305 2.7 19.6 0.5 C4A C:FEC1305 2.8 19.5 0.5 C4B C:FEC1305 2.9 20.1 0.5 C1A C:FEC1305 3.0 18.3 0.5 C1A C:FEC1305 3.0 18.3 0.5 C4C C:FEC1305 3.0 20.4 0.5 C1B C:FEC1305 3.0 19.2 0.5 C1D C:FEC1305 3.0 19.3 0.5 C4B C:FEC1305 3.0 19.6 0.5 C4D C:FEC1305 3.0 19.8 0.5 C4A C:FEC1305 3.0 19.0 0.5 C1C C:FEC1305 3.0 21.1 0.5 CHB C:FEC1305 3.1 19.3 0.5 C1C C:FEC1305 3.1 20.7 0.5 C4D C:FEC1305 3.2 18.7 0.5 C4C C:FEC1305 3.3 19.3 0.5 C1D C:FEC1305 3.3 18.9 0.5 CE C:MET57 3.4 12.8 1.0 CHC C:FEC1305 3.4 20.5 0.5 CHA C:FEC1305 3.4 19.0 0.5 CHC C:FEC1305 3.4 20.7 0.5 CHB C:FEC1305 3.4 19.0 0.5 CE D:MET57 3.4 12.9 1.0 CHD C:FEC1305 3.4 19.7 0.5 CHA C:FEC1305 3.5 18.5 0.5 CG C:MET57 3.5 16.1 1.0 CHD C:FEC1305 3.7 18.9 0.5 CG D:MET57 3.8 16.0 1.0 C2B C:FEC1305 4.0 19.3 0.5 C3A C:FEC1305 4.0 19.5 0.5 C3B C:FEC1305 4.1 19.5 0.5 C2A C:FEC1305 4.1 18.7 0.5 CB C:MET57 4.2 16.3 1.0 C2A C:FEC1305 4.3 18.8 0.5 C3D C:FEC1305 4.3 19.8 0.5 C2D C:FEC1305 4.3 17.9 0.5 C3C C:FEC1305 4.3 20.2 0.5 C2B C:FEC1305 4.3 19.1 0.5 C2C C:FEC1305 4.3 21.5 0.5 C3B C:FEC1305 4.3 19.9 0.5 C3A C:FEC1305 4.3 19.2 0.5 CB D:MET57 4.4 16.4 1.0 C2C C:FEC1305 4.4 21.1 0.5 C3C C:FEC1305 4.5 19.8 0.5 C3D C:FEC1305 4.5 18.6 0.5 C2D C:FEC1305 4.6 18.1 0.5

Iron binding site 8 out of 32 in the X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe200 b:33.1 occ:1.00 OE1 D:GLU132 1.9 28.2 1.0 OE2 D:GLU56 2.1 28.1 1.0 ND1 D:HIS135 2.1 19.3 1.0 OE1 D:GLU99 2.2 31.1 1.0 CD D:GLU132 2.8 27.3 1.0 CD D:GLU56 2.9 25.5 1.0 CD D:GLU99 3.0 30.2 1.0 OE1 D:GLU56 3.0 30.9 1.0 CE1 D:HIS135 3.1 19.8 1.0 OE2 D:GLU99 3.1 37.1 1.0 OE2 D:GLU132 3.1 33.5 1.0 CG D:HIS135 3.1 18.7 1.0 CB D:HIS135 3.5 19.0 1.0 CA D:GLU132 4.0 21.6 1.0 CG D:GLU132 4.1 24.4 1.0 NE2 D:HIS135 4.2 19.9 1.0 CD2 D:HIS135 4.2 18.8 1.0 CG D:GLU56 4.3 21.5 1.0 CB D:GLU132 4.4 23.0 1.0 CG D:GLU99 4.4 27.8 1.0 CE1 D:HIS59 4.4 18.2 1.0 CG2 D:ILE52 4.6 17.4 1.0 N D:GLU132 4.7 22.5 1.0 ND1 D:HIS59 4.8 18.9 1.0 CE1 D:TYR30 4.8 21.0 1.0 O D:GLU131 4.9 24.5 1.0 O D:GLU132 4.9 22.6 1.0 C D:GLU132 4.9 20.7 1.0 CA D:HIS135 5.0 19.5 1.0

Iron binding site 9 out of 32 in the X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation) within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe200 b:31.6 occ:1.00 OE1 E:GLU132 1.9 28.4 1.0 OE2 E:GLU56 2.1 27.5 1.0 ND1 E:HIS135 2.1 20.1 1.0 OE1 E:GLU99 2.2 31.5 1.0 CD E:GLU132 2.8 27.7 1.0 CD E:GLU56 2.8 24.9 1.0 OE1 E:GLU56 2.9 30.3 1.0 CD E:GLU99 3.0 30.3 1.0 CE1 E:HIS135 3.0 19.7 1.0 OE2 E:GLU132 3.0 33.5 1.0 OE2 E:GLU99 3.1 37.9 1.0 CG E:HIS135 3.2 18.6 1.0 O E:HOH9743 3.2 37.7 1.0 CB E:HIS135 3.6 19.1 1.0 CA E:GLU132 4.1 21.6 1.0 CG E:GLU132 4.1 24.4 1.0 NE2 E:HIS135 4.2 20.6 1.0 CG E:GLU56 4.3 21.2 1.0 CD2 E:HIS135 4.3 19.3 1.0 CG E:GLU99 4.4 28.7 1.0 CB E:GLU132 4.5 22.3 1.0 CG2 E:ILE52 4.6 17.2 1.0 O E:GLU132 4.7 22.5 1.0 CE1 E:HIS59 4.7 18.2 1.0 N E:GLU132 4.8 22.5 1.0 O E:GLU131 4.9 24.2 1.0 ND1 E:HIS59 4.9 19.7 1.0 C E:GLU132 4.9 20.5 1.0 CE1 E:TYR30 4.9 20.6 1.0

Iron binding site 10 out of 32 in the X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of X-Ray Structure of the Desulfovibrio Desulfuricans Bacterioferritin: the Diiron Site in Different Catalytic States ("Cycled" Structure: Reduced in Solution and Allowed to Reoxidise Before Crystallisation) within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe200 b:31.0 occ:1.00 OE1 F:GLU132 1.9 28.4 1.0 OE2 F:GLU56 2.1 27.9 1.0 ND1 F:HIS135 2.1 19.5 1.0 OE1 F:GLU99 2.2 31.7 1.0 CD F:GLU132 2.8 27.3 1.0 CD F:GLU56 2.8 25.3 1.0 OE1 F:GLU56 2.9 30.7 1.0 CD F:GLU99 3.0 30.7 1.0 CE1 F:HIS135 3.0 19.2 1.0 OE2 F:GLU99 3.1 37.4 1.0 OE2 F:GLU132 3.1 33.6 1.0 CG F:HIS135 3.2 18.8 1.0 O F:HOH9469 3.5 27.1 1.0 CB F:HIS135 3.6 19.3 1.0 CG F:GLU132 4.1 23.8 1.0 CA F:GLU132 4.1 21.0 1.0 NE2 F:HIS135 4.2 19.6 1.0 CG F:GLU56 4.2 21.0 1.0 CD2 F:HIS135 4.3 18.7 1.0 CB F:GLU132 4.4 22.5 1.0 CG F:GLU99 4.4 28.2 1.0 CE1 F:HIS59 4.4 18.3 1.0 CG2 F:ILE52 4.7 17.4 1.0 ND1 F:HIS59 4.7 18.8 1.0 CE1 F:TYR30 4.8 20.6 1.0 O F:GLU132 4.8 22.0 1.0 N F:GLU132 4.9 21.9 1.0 C F:GLU132 5.0 20.2 1.0

S.Macedo, C.V.Romao, E.Mitchell, P.M.Matias, M.Y.Liu, A.V.Xavier, J.Legall, M.Teixeira, P.Lindley, M.A.Carrondo. The Nature of the Di-Iron Site in the Bacterioferritin From Desulfovibrio Desulfuricans Nat.Struct.Biol. V. 10 285 2003.
ISSN: ISSN 1072-8368
PubMed: 12627224
DOI: 10.1038/NSB909