Iron in PDB 5hjh: DPS4 From Nostoc Punctiforme in Complex with Fe Ions

The structure of DPS4 From Nostoc Punctiforme in Complex with Fe Ions, PDB code: 5hjh was solved by C.Howe, V.K.Moparthi, K.Persson, K.Stensjo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.42 / 1.88
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	100.310, 100.310, 145.650, 90.00, 90.00, 120.00
R / Rfree (%)	15.8 / 19.3

The binding sites of Iron atom in the DPS4 From Nostoc Punctiforme in Complex with Fe Ions (pdb code 5hjh). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the DPS4 From Nostoc Punctiforme in Complex with Fe Ions, PDB code: 5hjh:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the DPS4 From Nostoc Punctiforme in Complex with Fe Ions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of DPS4 From Nostoc Punctiforme in Complex with Fe Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:45.8 occ:0.61 OE1 A:GLU82 1.8 62.8 1.0 CE1 A:HIS78 2.3 56.8 1.0 NE2 A:HIS78 2.3 48.9 1.0 O A:HOH387 2.3 44.8 1.0 NE2 B:HIS51 2.4 31.4 1.0 O B:HOH386 2.9 63.9 1.0 CD A:GLU82 3.0 59.3 1.0 CE1 B:HIS51 3.1 32.8 1.0 O A:HOH346 3.4 65.5 1.0 ND1 A:HIS78 3.5 56.8 1.0 FE B:FE201 3.5 52.0 0.6 CD2 B:HIS51 3.6 30.8 1.0 CD2 A:HIS78 3.6 49.4 1.0 NE2 B:HIS63 3.8 55.2 1.0 OE2 A:GLU82 3.8 65.6 1.0 CG A:GLU82 4.0 50.4 1.0 CE1 B:HIS63 4.2 52.3 1.0 CG A:HIS78 4.2 44.8 1.0 O B:HOH403 4.3 58.1 1.0 ND1 B:HIS51 4.4 32.0 1.0 CG B:HIS51 4.6 27.2 1.0 OD1 B:ASN67 4.7 46.8 1.0 CD2 B:HIS63 4.8 44.8 1.0 O B:HOH388 5.0 45.3 1.0

Iron binding site 2 out of 8 in the DPS4 From Nostoc Punctiforme in Complex with Fe Ions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of DPS4 From Nostoc Punctiforme in Complex with Fe Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe203 b:36.2 occ:0.47 OE2 B:GLU82 1.9 58.2 1.0 NE2 B:HIS78 2.0 49.8 1.0 NE2 A:HIS51 2.3 40.5 1.0 O A:HOH349 2.3 49.0 1.0 O B:HOH399 2.5 60.3 1.0 CE1 B:HIS78 2.7 50.2 1.0 CE1 A:HIS51 3.0 37.6 1.0 CD B:GLU82 3.1 57.4 1.0 CD2 B:HIS78 3.3 48.4 1.0 O B:HOH315 3.3 54.5 1.0 CD2 A:HIS51 3.5 34.6 1.0 FE A:FE204 3.5 53.5 0.6 OE1 B:GLU82 3.7 66.9 1.0 CE1 A:HIS63 3.9 64.3 1.0 ND1 B:HIS78 3.9 52.2 1.0 NE2 A:HIS63 4.0 65.3 1.0 CG B:GLU82 4.1 50.5 1.0 CG B:HIS78 4.2 41.5 1.0 ND1 A:HIS51 4.2 38.4 1.0 O A:HOH317 4.5 45.0 1.0 CG A:HIS51 4.5 33.5 1.0 OD1 A:ASN67 4.9 47.9 1.0 ND1 A:HIS63 5.0 59.5 1.0

Iron binding site 3 out of 8 in the DPS4 From Nostoc Punctiforme in Complex with Fe Ions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of DPS4 From Nostoc Punctiforme in Complex with Fe Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe204 b:53.5 occ:0.56 O A:HOH317 2.1 45.0 1.0 O A:HOH349 2.2 49.0 1.0 OE1 B:GLU82 2.6 66.9 1.0 NE2 A:HIS63 2.6 65.3 1.0 CE1 A:HIS63 2.9 64.3 1.0 O B:HOH315 2.9 54.5 1.0 OE2 B:GLU82 3.3 58.2 1.0 CD B:GLU82 3.3 57.4 1.0 FE A:FE203 3.5 36.2 0.5 CD2 A:HIS63 3.9 58.6 1.0 ND1 A:HIS63 4.1 59.5 1.0 O B:HOH399 4.4 60.3 1.0 CG A:HIS63 4.7 50.4 1.0 NE2 A:HIS51 4.7 40.5 1.0 CG B:GLU82 4.8 50.5 1.0 CE1 A:HIS51 4.8 37.6 1.0

Iron binding site 4 out of 8 in the DPS4 From Nostoc Punctiforme in Complex with Fe Ions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of DPS4 From Nostoc Punctiforme in Complex with Fe Ions within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:52.0 occ:0.63 O B:HOH388 2.3 45.3 1.0 NE2 B:HIS63 2.4 55.2 1.0 O B:HOH386 2.4 63.9 1.0 O A:HOH346 2.9 65.5 1.0 OE2 A:GLU82 2.9 65.6 1.0 OE1 A:GLU82 3.2 62.8 1.0 CE1 B:HIS63 3.3 52.3 1.0 CD2 B:HIS63 3.3 44.8 1.0 CD A:GLU82 3.4 59.3 1.0 FE A:FE201 3.5 45.8 0.6 ND1 B:HIS63 4.4 40.5 1.0 CG B:HIS63 4.4 36.1 1.0 O A:HOH387 4.5 44.8 1.0 CE1 B:HIS51 4.8 32.8 1.0 NE2 B:HIS51 4.8 31.4 1.0 CG A:GLU82 4.9 50.4 1.0

Iron binding site 5 out of 8 in the DPS4 From Nostoc Punctiforme in Complex with Fe Ions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of DPS4 From Nostoc Punctiforme in Complex with Fe Ions within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:47.7 occ:0.67 NE2 C:HIS78 2.0 46.4 1.0 NE2 D:HIS51 2.4 28.1 1.0 OE1 C:GLU82 2.4 70.0 1.0 O D:HOH389 2.7 72.6 1.0 CE1 C:HIS78 2.8 48.3 1.0 FE C:FE203 3.0 83.7 1.0 CD C:GLU82 3.1 67.7 1.0 CE1 D:HIS51 3.1 40.7 1.0 CD2 C:HIS78 3.2 49.8 1.0 OE2 C:GLU82 3.2 71.5 1.0 CD2 D:HIS51 3.5 34.2 1.0 O C:HOH321 3.7 45.4 1.0 NE2 D:HIS63 3.7 53.1 1.0 ND1 C:HIS78 4.0 49.3 1.0 CE1 D:HIS63 4.1 54.7 1.0 CG C:HIS78 4.2 45.0 1.0 ND1 D:HIS51 4.3 36.3 1.0 CG C:GLU82 4.5 56.6 1.0 CG D:HIS51 4.6 34.8 1.0 ND2 D:ASN67 4.8 38.6 1.0 CD2 D:HIS63 4.8 47.0 1.0 O D:HOH388 4.8 45.5 1.0

Iron binding site 6 out of 8 in the DPS4 From Nostoc Punctiforme in Complex with Fe Ions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of DPS4 From Nostoc Punctiforme in Complex with Fe Ions within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe202 b:73.5 occ:0.75 O C:HOH368 2.2 61.8 1.0 NE2 C:HIS63 2.3 59.0 1.0 OE2 D:GLU82 2.8 48.1 1.0 FE C:FE204 3.2 47.3 0.6 CE1 C:HIS63 3.2 59.0 1.0 CD2 C:HIS63 3.4 51.4 1.0 CD D:GLU82 3.6 49.7 1.0 OE1 D:GLU82 3.6 47.8 1.0 O D:HOH371 4.3 45.2 1.0 ND1 C:HIS63 4.3 57.3 1.0 CG C:HIS63 4.4 47.6 1.0 CE1 C:HIS51 4.6 35.5 1.0 NE2 C:HIS51 4.6 34.7 1.0 CE1 D:HIS78 5.0 55.2 1.0

Iron binding site 7 out of 8 in the DPS4 From Nostoc Punctiforme in Complex with Fe Ions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of DPS4 From Nostoc Punctiforme in Complex with Fe Ions within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe203 b:83.7 occ:1.00 NE2 D:HIS63 2.4 53.1 1.0 OE2 C:GLU82 2.5 71.5 1.0 O C:HOH321 2.6 45.4 1.0 O D:HOH389 2.7 72.6 1.0 O D:HOH387 2.9 50.9 1.0 FE C:FE201 3.0 47.7 0.7 CD2 D:HIS63 3.3 47.0 1.0 CE1 A:HIS164 3.4 55.6 1.0 CE1 D:HIS63 3.4 54.7 1.0 CD C:GLU82 3.5 67.7 1.0 NE2 A:HIS164 3.7 57.6 1.0 OE1 C:GLU82 3.8 70.0 1.0 NE2 D:HIS51 4.4 28.1 1.0 CE1 D:HIS51 4.4 40.7 1.0 CG D:HIS63 4.5 47.6 1.0 ND1 A:HIS164 4.5 57.8 1.0 ND1 D:HIS63 4.5 52.9 1.0 CG C:GLU82 4.8 56.6 1.0 O D:HOH388 4.8 45.5 1.0 O A:HOH323 4.9 52.4 1.0 NE2 C:HIS78 5.0 46.4 1.0 CD2 A:HIS164 5.0 56.0 1.0

Iron binding site 8 out of 8 in the DPS4 From Nostoc Punctiforme in Complex with Fe Ions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of DPS4 From Nostoc Punctiforme in Complex with Fe Ions within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe204 b:47.3 occ:0.62 NE2 D:HIS78 2.2 50.3 1.0 CE1 D:HIS78 2.2 55.2 1.0 O D:HOH371 2.2 45.2 1.0 NE2 C:HIS51 2.5 34.7 1.0 OE2 D:GLU82 2.6 48.1 1.0 O C:HOH368 2.9 61.8 1.0 CD D:GLU82 3.0 49.7 1.0 OE1 D:GLU82 3.1 47.8 1.0 CE1 C:HIS51 3.1 35.5 1.0 FE C:FE202 3.2 73.5 0.8 ND1 D:HIS78 3.5 51.7 1.0 CD2 D:HIS78 3.6 47.6 1.0 CD2 C:HIS51 3.6 31.9 1.0 NE2 C:HIS63 3.7 59.0 1.0 CE1 C:HIS63 4.0 59.0 1.0 CG D:GLU82 4.1 42.1 1.0 CG D:HIS78 4.2 42.9 1.0 ND1 C:HIS51 4.4 36.0 1.0 CG C:HIS51 4.6 33.4 1.0 CD2 C:HIS63 4.8 51.4 1.0 OD1 C:ASN67 4.8 55.5 1.0

C.Howe, V.K.Moparthi, K.Persson, K.Stensjo. DPS4 From Nostoc Punctiforme in Complex with Fe Ions To Be Published.