Iron in PDB 5xx9: Crystal Structure of Bacterioferritin

All present enzymatic activity of Crystal Structure of Bacterioferritin:
1.16.3.1;

The structure of Crystal Structure of Bacterioferritin, PDB code: 5xx9 was solved by C.Jobichen, R.Rajesh, J.Angayarkanni, J.Sivaraman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.76 / 2.60
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	123.761, 123.761, 172.304, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 20.8

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Bacterioferritin (pdb code 5xx9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the Crystal Structure of Bacterioferritin, PDB code: 5xx9:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in the Crystal Structure of Bacterioferritin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Bacterioferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:30.6 occ:1.00 OE2 A:GLU127 2.0 23.4 1.0 OE1 A:GLU18 2.1 24.7 1.0 OE1 A:GLU51 2.2 27.0 1.0 ND1 A:HIS54 2.3 21.8 1.0 OE2 A:GLU18 2.4 23.8 1.0 OE2 A:GLU51 2.4 32.8 1.0 CD A:GLU51 2.6 22.8 1.0 CD A:GLU18 2.6 22.0 1.0 CD A:GLU127 2.8 21.4 1.0 OE1 A:GLU127 2.9 21.5 1.0 CE1 A:HIS54 3.2 19.0 1.0 CG A:HIS54 3.4 18.6 1.0 O A:HOH301 3.7 25.5 1.0 CB A:HIS54 3.7 16.4 1.0 O A:HOH375 3.8 24.1 1.0 CG A:GLU51 4.0 18.6 1.0 CG A:GLU18 4.1 17.1 1.0 CG A:GLU127 4.2 20.4 1.0 NE2 A:HIS54 4.3 15.4 1.0 CA A:GLU51 4.3 16.1 1.0 CG2 A:ILE123 4.4 9.5 1.0 CB A:GLU51 4.4 14.0 1.0 CD2 A:HIS54 4.5 21.4 1.0 NE2 A:GLN14 4.8 15.2 1.0 CB A:GLU18 4.9 11.9 1.0 OE2 A:GLU94 4.9 25.9 1.0

Iron binding site 2 out of 12 in the Crystal Structure of Bacterioferritin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Bacterioferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:75.8 occ:1.00 O A:HOH411 2.1 20.0 1.0 O B:HOH318 3.5 16.3 1.0 OD1 A:ASN23 3.7 14.2 1.0 FE A:FE2203 4.0 75.1 1.0 O A:HOH320 4.1 13.7 1.0 CG2 A:ILE22 4.1 9.9 1.0 CE A:MET52 4.1 42.9 1.0 CD1 B:ILE22 4.3 9.5 1.0 CG2 B:ILE22 4.3 8.1 1.0 O B:HOH395 4.4 23.9 1.0 CD2 B:LEU19 4.4 7.9 1.0 CG A:ASN23 4.9 12.0 1.0 CB B:ILE22 5.0 11.9 1.0 O A:HOH350 5.0 16.3 1.0

Iron binding site 3 out of 12 in the Crystal Structure of Bacterioferritin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Bacterioferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe203 b:75.1 occ:1.00 OD1 B:ASN23 3.9 17.8 1.0 FE A:FE2202 4.0 75.8 1.0 O A:HOH320 4.0 13.7 1.0 CG2 B:ILE22 4.1 8.1 1.0 CD2 A:LEU19 4.2 7.4 1.0 CD1 A:ILE22 4.3 12.8 1.0 O B:HOH318 4.5 16.3 1.0 CE A:MET52 4.6 42.9 1.0 CE B:MET52 4.8 24.4 1.0 CG2 A:ILE22 4.9 9.9 1.0 CE2 A:TYR71 4.9 11.7 1.0

Iron binding site 4 out of 12 in the Crystal Structure of Bacterioferritin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Bacterioferritin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:32.3 occ:1.00 OE1 B:GLU127 2.0 27.4 1.0 OE2 B:GLU18 2.3 23.8 1.0 OE1 B:GLU18 2.3 24.2 1.0 OE1 B:GLU51 2.3 23.0 1.0 ND1 B:HIS54 2.4 16.3 1.0 OE2 B:GLU51 2.4 32.2 1.0 CD B:GLU51 2.6 24.8 1.0 CD B:GLU18 2.6 19.5 1.0 CD B:GLU127 2.8 20.0 1.0 OE2 B:GLU127 3.0 21.2 1.0 CE1 B:HIS54 3.2 17.6 1.0 CG B:HIS54 3.5 14.9 1.0 CB B:HIS54 3.8 15.5 1.0 CG B:GLU51 4.0 17.6 1.0 O B:HOH381 4.1 21.3 1.0 CG B:GLU18 4.1 14.5 1.0 CG B:GLU127 4.2 19.4 1.0 CG2 B:ILE123 4.3 11.2 1.0 CA B:GLU51 4.4 20.9 1.0 NE2 B:HIS54 4.4 13.8 1.0 CB B:GLU51 4.4 18.2 1.0 CD2 B:HIS54 4.5 15.0 1.0 NE2 B:GLN14 4.7 17.0 1.0 CB B:GLU18 4.9 12.6 1.0

Iron binding site 5 out of 12 in the Crystal Structure of Bacterioferritin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Bacterioferritin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:29.9 occ:1.00 ND1 C:HIS54 2.3 19.2 1.0 OE2 C:GLU127 2.3 38.1 1.0 OE1 C:GLU51 2.3 32.4 1.0 OE1 C:GLU18 2.3 25.5 1.0 OE2 C:GLU18 2.4 24.2 1.0 OE2 C:GLU51 2.5 27.4 1.0 CD C:GLU51 2.7 25.4 1.0 CD C:GLU18 2.7 21.4 1.0 OE1 C:GLU127 2.8 21.0 1.0 CD C:GLU127 2.8 22.3 1.0 CE1 C:HIS54 3.1 18.5 1.0 CG C:HIS54 3.4 16.5 1.0 CB C:HIS54 3.8 16.9 1.0 CG C:GLU51 4.0 20.9 1.0 CG C:GLU127 4.1 19.9 1.0 CG2 C:ILE123 4.2 11.1 1.0 CG C:GLU18 4.2 15.7 1.0 NE2 C:HIS54 4.3 17.9 1.0 CA C:GLU51 4.3 16.4 1.0 CB C:GLU51 4.4 19.1 1.0 CD2 C:HIS54 4.4 16.1 1.0 NE2 C:GLN14 4.7 17.1 1.0

Iron binding site 6 out of 12 in the Crystal Structure of Bacterioferritin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Bacterioferritin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe202 b:88.8 occ:1.00 O D:HOH405 2.4 27.0 1.0 FE D:FE2202 2.8 81.9 1.0 CG2 D:ILE22 3.8 10.6 1.0 CE C:MET52 3.9 31.3 1.0 CE D:MET52 4.0 23.1 1.0 O D:HOH342 4.4 23.5 1.0 CG2 C:ILE22 4.4 14.9 1.0 O C:HOH317 4.5 19.6 1.0 CD1 C:ILE22 4.5 15.8 1.0 CG C:MET52 4.6 15.2 1.0 SD C:MET52 4.6 28.5 1.0 OD1 D:ASN23 4.7 12.6 1.0 SD D:MET52 4.9 25.1 1.0

Iron binding site 7 out of 12 in the Crystal Structure of Bacterioferritin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Bacterioferritin within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:30.7 occ:1.00 OE1 D:GLU127 2.0 26.5 1.0 OE1 D:GLU18 2.2 19.1 1.0 OE1 D:GLU51 2.2 26.5 1.0 ND1 D:HIS54 2.3 19.8 1.0 OE2 D:GLU18 2.3 19.9 1.0 OE2 D:GLU51 2.4 24.8 1.0 CD D:GLU51 2.5 20.6 1.0 CD D:GLU18 2.6 18.3 1.0 CD D:GLU127 2.8 19.4 1.0 OE2 D:GLU127 2.9 21.3 1.0 CE1 D:HIS54 3.1 22.3 1.0 CG D:HIS54 3.4 15.6 1.0 CB D:HIS54 3.8 16.4 1.0 O D:HOH301 3.8 24.3 1.0 CG D:GLU51 3.9 18.0 1.0 CG D:GLU18 4.1 12.0 1.0 CG D:GLU127 4.2 15.0 1.0 CA D:GLU51 4.2 16.7 1.0 NE2 D:HIS54 4.3 17.8 1.0 CB D:GLU51 4.3 14.4 1.0 CG2 D:ILE123 4.4 10.6 1.0 CD2 D:HIS54 4.4 16.2 1.0 OE2 D:GLU94 4.7 28.6 1.0 OE1 D:GLU94 4.8 29.4 1.0 NE2 D:GLN14 4.9 17.2 1.0 CB D:GLU18 4.9 10.3 1.0

Iron binding site 8 out of 12 in the Crystal Structure of Bacterioferritin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Bacterioferritin within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe202 b:81.9 occ:1.00 FE C:FE2202 2.8 88.8 1.0 O D:HOH342 3.3 23.5 1.0 OD1 C:ASN23 3.9 21.4 1.0 O C:HOH317 4.0 19.6 1.0 CG2 C:ILE22 4.0 14.9 1.0 CG2 D:ILE22 4.3 10.6 1.0 CD1 D:ILE22 4.5 10.9 1.0 CD2 D:LEU19 4.6 7.2 1.0

Iron binding site 9 out of 12 in the Crystal Structure of Bacterioferritin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of Bacterioferritin within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe201 b:30.4 occ:1.00 OE2 E:GLU127 2.0 25.7 1.0 OE1 E:GLU18 2.2 23.8 1.0 ND1 E:HIS54 2.2 23.4 1.0 OE1 E:GLU51 2.3 33.4 1.0 OE2 E:GLU51 2.4 32.8 1.0 OE2 E:GLU18 2.4 23.4 1.0 CD E:GLU51 2.6 24.1 1.0 CD E:GLU18 2.6 22.7 1.0 CD E:GLU127 2.8 20.9 1.0 OE1 E:GLU127 2.9 23.5 1.0 CE1 E:HIS54 3.1 19.8 1.0 CG E:HIS54 3.3 18.9 1.0 CB E:HIS54 3.6 17.4 1.0 CG E:GLU51 3.9 14.2 1.0 CG E:GLU18 4.1 16.3 1.0 O E:HOH474 4.1 22.3 1.0 CA E:GLU51 4.2 17.5 1.0 CG E:GLU127 4.2 19.6 1.0 CG2 E:ILE123 4.2 13.4 1.0 CB E:GLU51 4.3 19.5 1.0 NE2 E:HIS54 4.3 17.4 1.0 CD2 E:HIS54 4.4 14.9 1.0 OE2 E:GLU94 4.8 25.2 1.0 CB E:GLU18 4.8 12.9 1.0 NE2 E:GLN14 4.9 16.4 1.0 OE1 E:GLU94 4.9 38.8 1.0

Iron binding site 10 out of 12 in the Crystal Structure of Bacterioferritin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of Bacterioferritin within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe202 b:78.8 occ:1.00 CG E:MET52 4.2 18.9 1.0 CB E:MET52 4.2 18.6 1.0 CA E:MET52 4.6 13.4 1.0 O E:MET52 4.6 16.7 1.0 CD1 E:ILE22 4.7 11.9 1.0 SD E:MET52 4.7 22.5 1.0 CB E:ALA55 4.8 13.1 1.0

C.Jobichen, R.Rajesh, J.Angayarkanni, J.Sivaraman. Crystal Structure of Bacterioferritin To Be Published.