Iron in PDB 5c2v: Kuenenia Stuttgartiensis Hydrazine Synthase

The structure of Kuenenia Stuttgartiensis Hydrazine Synthase, PDB code: 5c2v was solved by A.Dietl, C.Ferousi, W.J.Maalcke, A.Menzel, S.De Vries, J.T.Keltjens, M.S.M.Jetten, B.Kartal, T.R.M.Barends, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.70
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	464.540, 464.540, 145.750, 90.00, 90.00, 120.00
R / Rfree (%)	23.5 / 27.1

The structure of Kuenenia Stuttgartiensis Hydrazine Synthase also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Zinc	(Zn)	2 atoms
Calcium	(Ca)	12 atoms
Chlorine	(Cl)	3 atoms

The binding sites of Iron atom in the Kuenenia Stuttgartiensis Hydrazine Synthase (pdb code 5c2v). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Kuenenia Stuttgartiensis Hydrazine Synthase, PDB code: 5c2v:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Kuenenia Stuttgartiensis Hydrazine Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Kuenenia Stuttgartiensis Hydrazine Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe905 b:43.4 occ:1.00 FE A:HEC905 0.0 43.4 1.0 OH A:TYR591 2.0 30.0 1.0 NC A:HEC905 2.1 35.0 1.0 NA A:HEC905 2.1 38.2 1.0 NB A:HEC905 2.1 40.9 1.0 ND A:HEC905 2.1 43.5 1.0 CZ A:TYR591 3.0 45.1 1.0 C4C A:HEC905 3.1 47.0 1.0 C1B A:HEC905 3.1 37.4 1.0 C4A A:HEC905 3.1 44.1 1.0 C4B A:HEC905 3.1 27.6 1.0 C1C A:HEC905 3.1 54.0 1.0 C1A A:HEC905 3.1 46.2 1.0 C1D A:HEC905 3.1 32.1 1.0 C4D A:HEC905 3.1 36.5 1.0 CHD A:HEC905 3.4 51.5 1.0 CHB A:HEC905 3.4 34.6 1.0 CHC A:HEC905 3.5 27.1 1.0 CHA A:HEC905 3.5 50.8 1.0 CE1 A:TYR591 3.7 36.7 1.0 CE2 A:TYR591 3.9 39.8 1.0 O A:HOH1123 4.1 52.2 1.0 C2B A:HEC905 4.2 39.9 1.0 C3B A:HEC905 4.3 46.5 1.0 CB A:ALA569 4.3 37.4 1.0 C3C A:HEC905 4.3 42.1 1.0 C3A A:HEC905 4.3 37.9 1.0 C2A A:HEC905 4.3 35.8 1.0 C2C A:HEC905 4.3 43.3 1.0 C2D A:HEC905 4.3 39.4 1.0 C3D A:HEC905 4.3 36.7 1.0 N A:HIS587 4.3 34.2 1.0 CA A:HIS587 4.7 41.5 1.0 CB A:HIS587 4.9 37.0 1.0 CD1 A:TYR591 5.0 38.6 1.0

Iron binding site 2 out of 8 in the Kuenenia Stuttgartiensis Hydrazine Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Kuenenia Stuttgartiensis Hydrazine Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe906 b:56.5 occ:1.00 FE A:HEC906 0.0 56.5 1.0 NA A:HEC906 2.0 52.5 1.0 NB A:HEC906 2.1 58.6 1.0 NC A:HEC906 2.1 54.6 1.0 ND A:HEC906 2.1 59.7 1.0 NE2 A:HIS689 2.1 35.9 1.0 NE2 A:HIS772 2.1 41.7 1.0 CE1 A:HIS689 2.9 49.9 1.0 CD2 A:HIS772 2.9 57.9 1.0 C1A A:HEC906 3.1 58.8 1.0 C4B A:HEC906 3.1 61.5 1.0 C4C A:HEC906 3.1 63.6 1.0 C1B A:HEC906 3.1 58.3 1.0 C1C A:HEC906 3.1 63.9 1.0 C4A A:HEC906 3.1 50.7 1.0 C4D A:HEC906 3.1 54.0 1.0 C1D A:HEC906 3.1 72.2 1.0 CE1 A:HIS772 3.2 56.7 1.0 CD2 A:HIS689 3.2 53.3 1.0 CHA A:HEC906 3.4 50.2 1.0 CHD A:HEC906 3.4 69.2 1.0 CHC A:HEC906 3.4 69.9 1.0 CHB A:HEC906 3.4 46.0 1.0 ND1 A:HIS689 4.1 60.1 1.0 CG A:HIS772 4.1 56.1 1.0 ND1 A:HIS772 4.2 50.9 1.0 C2A A:HEC906 4.3 46.2 1.0 CG A:HIS689 4.3 54.8 1.0 C3B A:HEC906 4.3 58.6 1.0 C2B A:HEC906 4.3 61.7 1.0 C2C A:HEC906 4.3 68.8 1.0 C3A A:HEC906 4.3 51.1 1.0 C3C A:HEC906 4.3 76.7 1.0 C3D A:HEC906 4.3 65.8 1.0 C2D A:HEC906 4.3 67.4 1.0 CE2 A:PHE775 5.0 66.0 1.0

Iron binding site 3 out of 8 in the Kuenenia Stuttgartiensis Hydrazine Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Kuenenia Stuttgartiensis Hydrazine Synthase within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe404 b:42.8 occ:1.00 FE C:HEC404 0.0 42.8 1.0 NE2 C:HIS106 2.0 48.9 1.0 NA C:HEC404 2.1 52.3 1.0 NC C:HEC404 2.1 53.1 1.0 NB C:HEC404 2.1 36.0 1.0 ND C:HEC404 2.1 26.8 1.0 O C:HOH564 2.1 37.1 1.0 CE1 C:HIS106 2.8 51.6 1.0 C1B C:HEC404 3.0 42.4 1.0 C4B C:HEC404 3.1 54.5 1.0 C4A C:HEC404 3.1 49.5 1.0 C1D C:HEC404 3.1 45.1 1.0 C4D C:HEC404 3.1 50.1 1.0 C4C C:HEC404 3.1 41.1 1.0 C1A C:HEC404 3.1 42.9 1.0 C1C C:HEC404 3.1 39.0 1.0 CD2 C:HIS106 3.1 45.2 1.0 CHB C:HEC404 3.4 64.7 1.0 CHD C:HEC404 3.4 51.7 1.0 CHA C:HEC404 3.4 53.2 1.0 CHC C:HEC404 3.5 42.5 1.0 ND1 C:HIS106 4.0 39.3 1.0 OD2 C:ASP168 4.2 54.9 1.0 CG C:HIS106 4.2 48.9 1.0 C2B C:HEC404 4.2 43.3 1.0 C3B C:HEC404 4.2 52.0 1.0 C2D C:HEC404 4.3 43.5 1.0 C3D C:HEC404 4.3 34.7 1.0 C3A C:HEC404 4.3 61.5 1.0 C2C C:HEC404 4.3 41.9 1.0 C3C C:HEC404 4.3 41.8 1.0 C2A C:HEC404 4.3 60.2 1.0

Iron binding site 4 out of 8 in the Kuenenia Stuttgartiensis Hydrazine Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Kuenenia Stuttgartiensis Hydrazine Synthase within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe405 b:58.2 occ:1.00 FE C:HEC405 0.0 58.2 1.0 NE2 C:HIS332 2.0 39.3 1.0 NC C:HEC405 2.0 69.6 1.0 NA C:HEC405 2.0 62.9 1.0 NB C:HEC405 2.1 61.5 1.0 ND C:HEC405 2.1 51.7 1.0 NE2 C:HIS229 2.2 58.1 1.0 CD2 C:HIS229 2.9 62.3 1.0 CE1 C:HIS332 2.9 46.0 1.0 CD2 C:HIS332 3.0 44.4 1.0 C4C C:HEC405 3.1 62.5 1.0 C1B C:HEC405 3.1 62.8 1.0 C4A C:HEC405 3.1 59.5 1.0 C1A C:HEC405 3.1 63.0 1.0 C4B C:HEC405 3.1 53.5 1.0 C1D C:HEC405 3.1 63.9 1.0 C1C C:HEC405 3.1 68.6 1.0 C4D C:HEC405 3.1 59.8 1.0 CE1 C:HIS229 3.3 62.5 1.0 CHD C:HEC405 3.4 67.5 1.0 CHB C:HEC405 3.4 75.3 1.0 CHA C:HEC405 3.4 57.5 1.0 CHC C:HEC405 3.4 62.7 1.0 ND1 C:HIS332 4.0 45.5 1.0 CG C:HIS332 4.1 51.4 1.0 CG C:HIS229 4.1 66.2 1.0 C2B C:HEC405 4.3 53.7 1.0 C3B C:HEC405 4.3 67.3 1.0 C3A C:HEC405 4.3 67.3 1.0 C3C C:HEC405 4.3 70.8 1.0 C2A C:HEC405 4.3 69.1 1.0 C2C C:HEC405 4.3 68.7 1.0 ND1 C:HIS229 4.3 54.8 1.0 C2D C:HEC405 4.3 66.9 1.0 C3D C:HEC405 4.3 70.1 1.0

Iron binding site 5 out of 8 in the Kuenenia Stuttgartiensis Hydrazine Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Kuenenia Stuttgartiensis Hydrazine Synthase within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe905 b:48.5 occ:1.00 FE D:HEC905 0.0 48.5 1.0 NA D:HEC905 2.1 50.1 1.0 NC D:HEC905 2.1 46.9 1.0 NB D:HEC905 2.1 71.8 1.0 OH D:TYR591 2.1 45.2 1.0 ND D:HEC905 2.1 70.6 1.0 C1B D:HEC905 3.0 54.2 1.0 CZ D:TYR591 3.0 64.1 1.0 C4B D:HEC905 3.1 58.1 1.0 C4A D:HEC905 3.1 59.6 1.0 C4C D:HEC905 3.1 55.4 1.0 C1A D:HEC905 3.1 53.5 1.0 C1C D:HEC905 3.1 63.7 1.0 C1D D:HEC905 3.1 49.4 1.0 C4D D:HEC905 3.1 56.0 1.0 CHB D:HEC905 3.4 51.4 1.0 CHD D:HEC905 3.4 57.6 1.0 CHC D:HEC905 3.5 55.1 1.0 CHA D:HEC905 3.5 67.9 1.0 CE1 D:TYR591 3.8 58.7 1.0 CE2 D:TYR591 3.8 60.0 1.0 C2B D:HEC905 4.2 69.4 1.0 C3B D:HEC905 4.2 62.0 1.0 O D:HOH1083 4.3 55.6 1.0 C3C D:HEC905 4.3 52.5 1.0 C3A D:HEC905 4.3 61.4 1.0 C2A D:HEC905 4.3 53.2 1.0 CB D:ALA569 4.3 47.4 1.0 C2C D:HEC905 4.3 58.7 1.0 N D:HIS587 4.3 52.3 1.0 C2D D:HEC905 4.3 51.6 1.0 C3D D:HEC905 4.3 60.0 1.0 CA D:HIS587 4.7 47.6 1.0 CB D:HIS587 4.9 38.3 1.0

Iron binding site 6 out of 8 in the Kuenenia Stuttgartiensis Hydrazine Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Kuenenia Stuttgartiensis Hydrazine Synthase within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe906 b:45.3 occ:1.00 FE D:HEC906 0.0 45.3 1.0 NA D:HEC906 2.0 37.9 1.0 NC D:HEC906 2.1 46.6 1.0 NB D:HEC906 2.1 56.5 1.0 NE2 D:HIS772 2.1 38.0 1.0 ND D:HEC906 2.1 55.5 1.0 NE2 D:HIS689 2.1 46.1 1.0 CD2 D:HIS772 2.9 49.0 1.0 CE1 D:HIS689 2.9 56.9 1.0 C1A D:HEC906 3.1 51.5 1.0 C4A D:HEC906 3.1 46.0 1.0 C1B D:HEC906 3.1 49.2 1.0 C4C D:HEC906 3.1 54.6 1.0 C4B D:HEC906 3.1 47.7 1.0 C1C D:HEC906 3.1 58.6 1.0 C1D D:HEC906 3.1 49.0 1.0 C4D D:HEC906 3.1 46.6 1.0 CE1 D:HIS772 3.2 61.4 1.0 CD2 D:HIS689 3.2 61.4 1.0 CHB D:HEC906 3.4 52.3 1.0 CHA D:HEC906 3.4 38.3 1.0 CHD D:HEC906 3.4 54.0 1.0 CHC D:HEC906 3.5 58.5 1.0 ND1 D:HIS689 4.1 55.0 1.0 CG D:HIS772 4.1 46.7 1.0 ND1 D:HIS772 4.2 52.9 1.0 C2A D:HEC906 4.3 43.0 1.0 C3A D:HEC906 4.3 51.7 1.0 C2B D:HEC906 4.3 37.2 1.0 C3B D:HEC906 4.3 54.7 1.0 CG D:HIS689 4.3 60.3 1.0 C3C D:HEC906 4.3 56.3 1.0 C2C D:HEC906 4.3 57.8 1.0 C2D D:HEC906 4.3 58.0 1.0 C3D D:HEC906 4.4 62.1 1.0

Iron binding site 7 out of 8 in the Kuenenia Stuttgartiensis Hydrazine Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Kuenenia Stuttgartiensis Hydrazine Synthase within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe404 b:58.7 occ:1.00 FE F:HEC404 0.0 58.7 1.0 NA F:HEC404 2.1 69.7 1.0 NC F:HEC404 2.1 83.0 1.0 NE2 F:HIS106 2.1 45.2 1.0 NB F:HEC404 2.1 62.5 1.0 ND F:HEC404 2.1 51.1 1.0 O F:HOH536 2.1 37.8 1.0 CE1 F:HIS106 3.0 55.5 1.0 C1D F:HEC404 3.1 50.6 1.0 C1B F:HEC404 3.1 78.4 1.0 C4A F:HEC404 3.1 60.1 1.0 C4C F:HEC404 3.1 54.9 1.0 C4D F:HEC404 3.1 55.4 1.0 C1A F:HEC404 3.1 69.4 1.0 C4B F:HEC404 3.1 65.7 1.0 CD2 F:HIS106 3.1 54.7 1.0 C1C F:HEC404 3.1 65.4 1.0 CHD F:HEC404 3.4 54.2 1.0 CHB F:HEC404 3.4 60.7 1.0 CHA F:HEC404 3.4 66.9 1.0 CHC F:HEC404 3.5 73.5 1.0 ND1 F:HIS106 4.2 58.0 1.0 OD2 F:ASP168 4.2 68.4 1.0 CG F:HIS106 4.2 50.4 1.0 C2B F:HEC404 4.3 78.6 1.0 C2D F:HEC404 4.3 62.8 1.0 C3B F:HEC404 4.3 62.6 1.0 C3D F:HEC404 4.3 62.0 1.0 C3A F:HEC404 4.3 77.8 1.0 C3C F:HEC404 4.3 61.8 1.0 C2A F:HEC404 4.3 73.9 1.0 C2C F:HEC404 4.3 54.8 1.0 CG1 F:VAL164 4.8 77.5 1.0

Iron binding site 8 out of 8 in the Kuenenia Stuttgartiensis Hydrazine Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Kuenenia Stuttgartiensis Hydrazine Synthase within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe405 b:72.7 occ:1.00 FE F:HEC405 0.0 72.7 1.0 NA F:HEC405 2.0 82.7 1.0 NC F:HEC405 2.1 64.4 1.0 NB F:HEC405 2.1 70.5 1.0 ND F:HEC405 2.1 86.1 1.0 NE2 F:HIS229 2.2 74.8 1.0 NE2 F:HIS332 2.3 71.7 1.0 C1A F:HEC405 3.1 83.8 1.0 CE1 F:HIS332 3.1 61.8 1.0 C4D F:HEC405 3.1 74.0 1.0 C4A F:HEC405 3.1 81.8 1.0 C4C F:HEC405 3.1 71.2 1.0 C1D F:HEC405 3.1 86.2 1.0 C1C F:HEC405 3.1 73.0 1.0 C1B F:HEC405 3.1 74.6 1.0 C4B F:HEC405 3.1 69.8 1.0 CD2 F:HIS229 3.1 81.0 1.0 CE1 F:HIS229 3.2 78.3 1.0 CD2 F:HIS332 3.2 67.3 1.0 CHD F:HEC405 3.4 87.6 1.0 CHA F:HEC405 3.4 71.0 1.0 CHB F:HEC405 3.4 88.9 1.0 CHC F:HEC405 3.5 72.6 1.0 ND1 F:HIS332 4.1 55.0 1.0 CG F:HIS332 4.2 57.9 1.0 ND1 F:HIS229 4.3 82.1 1.0 C2A F:HEC405 4.3 86.6 1.0 C3A F:HEC405 4.3 86.0 1.0 C3D F:HEC405 4.3 82.7 1.0 C2D F:HEC405 4.3 77.3 1.0 CG F:HIS229 4.3 90.8 1.0 C2C F:HEC405 4.3 78.0 1.0 C3C F:HEC405 4.3 81.3 1.0 C2B F:HEC405 4.3 66.3 1.0 C3B F:HEC405 4.3 72.9 1.0

A.Dietl, C.Ferousi, W.J.Maalcke, A.Menzel, S.De Vries, J.T.Keltjens, M.S.Jetten, B.Kartal, T.R.Barends. The Inner Workings of the Hydrazine Synthase Multiprotein Complex. Nature V. 527 394 2015.
ISSN: ESSN 1476-4687
PubMed: 26479033
DOI: 10.1038/NATURE15517