Iron in PDB 1h21: A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774

The structure of A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774, PDB code: 1h21 was solved by I.A.Abreu, A.I.Lourenco, A.V.Xavier, J.Legall, A.V.Coelho, P.M.Matias, D.M.Pinto, M.A.Carrondo, M.Teixeira, L.M.Saraiva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.0 / 2.5
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	96.060, 100.130, 109.300, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 26.4

The binding sites of Iron atom in the A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774 (pdb code 1h21). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774, PDB code: 1h21:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1248 b:39.7 occ:1.00 FE A:HEC1248 0.0 39.7 1.0 NA A:HEC1248 1.9 40.2 1.0 NB A:HEC1248 2.0 39.0 1.0 NC A:HEC1248 2.0 42.2 1.0 NE2 A:HIS213 2.0 42.9 1.0 ND A:HEC1248 2.0 42.0 1.0 NE2 B:HIS246 2.0 42.2 1.0 CE1 A:HIS213 2.9 39.8 1.0 C1A A:HEC1248 3.0 40.5 1.0 CE1 B:HIS246 3.0 41.1 1.0 C1B A:HEC1248 3.0 39.8 1.0 C4A A:HEC1248 3.0 41.0 1.0 C1C A:HEC1248 3.0 40.7 1.0 C4C A:HEC1248 3.0 43.9 1.0 C4D A:HEC1248 3.1 42.4 1.0 C4B A:HEC1248 3.1 38.4 1.0 C1D A:HEC1248 3.1 42.9 1.0 CD2 B:HIS246 3.1 42.9 1.0 CD2 A:HIS213 3.1 40.9 1.0 CHB A:HEC1248 3.4 40.6 1.0 CHA A:HEC1248 3.4 44.2 1.0 CHC A:HEC1248 3.4 39.4 1.0 CHD A:HEC1248 3.4 42.4 1.0 ND1 A:HIS213 4.1 44.3 1.0 ND1 B:HIS246 4.2 41.2 1.0 CG B:HIS246 4.2 45.8 1.0 CG A:HIS213 4.2 41.8 1.0 C2A A:HEC1248 4.2 39.5 1.0 C3C A:HEC1248 4.3 43.4 1.0 C2B A:HEC1248 4.3 39.9 1.0 C2C A:HEC1248 4.3 41.3 1.0 C3A A:HEC1248 4.3 38.1 1.0 C3D A:HEC1248 4.3 42.8 1.0 C2D A:HEC1248 4.3 42.8 1.0 C3B A:HEC1248 4.3 40.4 1.0

Iron binding site 2 out of 8 in the A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1249 b:31.8 occ:1.00 FE A:HEC1249 0.0 31.8 1.0 NB A:HEC1249 1.9 28.1 1.0 NA A:HEC1249 1.9 28.6 1.0 NC A:HEC1249 1.9 27.8 1.0 NE2 B:HIS148 2.0 27.9 1.0 ND A:HEC1249 2.0 29.1 1.0 NE2 A:HIS233 2.0 30.5 1.0 CE1 B:HIS148 2.8 27.3 1.0 C4B A:HEC1249 2.9 26.9 1.0 C1B A:HEC1249 3.0 29.3 1.0 C1C A:HEC1249 3.0 22.1 1.0 C4A A:HEC1249 3.0 31.7 1.0 CE1 A:HIS233 3.0 28.7 1.0 C1A A:HEC1249 3.0 30.8 1.0 C4C A:HEC1249 3.0 28.6 1.0 C4D A:HEC1249 3.0 27.3 1.0 C1D A:HEC1249 3.1 28.6 1.0 CD2 B:HIS148 3.1 25.1 1.0 CD2 A:HIS233 3.1 30.2 1.0 CHC A:HEC1249 3.3 24.0 1.0 CHB A:HEC1249 3.3 34.1 1.0 CHA A:HEC1249 3.4 26.5 1.0 CHD A:HEC1249 3.4 27.1 1.0 ND1 B:HIS148 4.0 27.6 1.0 ND1 A:HIS233 4.2 33.1 1.0 C2B A:HEC1249 4.2 31.3 1.0 CG B:HIS148 4.2 23.1 1.0 C2C A:HEC1249 4.2 24.6 1.0 C3B A:HEC1249 4.2 31.4 1.0 C3A A:HEC1249 4.2 27.0 1.0 C3C A:HEC1249 4.2 25.6 1.0 C2A A:HEC1249 4.2 30.3 1.0 CG A:HIS233 4.3 31.8 1.0 C3D A:HEC1249 4.3 28.7 1.0 C2D A:HEC1249 4.3 26.1 1.0

Iron binding site 3 out of 8 in the A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1248 b:33.9 occ:1.00 FE B:HEC1248 0.0 33.9 1.0 NE2 A:HIS246 1.9 35.0 1.0 ND B:HEC1248 2.0 41.7 1.0 NC B:HEC1248 2.0 43.0 1.0 NA B:HEC1248 2.0 41.4 1.0 NB B:HEC1248 2.0 39.2 1.0 NE2 B:HIS213 2.0 37.0 1.0 CE1 B:HIS213 2.9 35.2 1.0 CD2 A:HIS246 2.9 34.0 1.0 CE1 A:HIS246 3.0 31.1 1.0 C4D B:HEC1248 3.0 44.7 1.0 C1A B:HEC1248 3.0 41.9 1.0 C1B B:HEC1248 3.1 40.6 1.0 C4C B:HEC1248 3.1 44.3 1.0 C1D B:HEC1248 3.1 43.3 1.0 C1C B:HEC1248 3.1 44.2 1.0 C4A B:HEC1248 3.1 40.1 1.0 C4B B:HEC1248 3.1 38.2 1.0 CD2 B:HIS213 3.1 33.1 1.0 CHA B:HEC1248 3.4 43.9 1.0 CHD B:HEC1248 3.4 45.8 1.0 CHB B:HEC1248 3.4 39.4 1.0 CHC B:HEC1248 3.5 42.3 1.0 CG A:HIS246 4.1 37.4 1.0 ND1 A:HIS246 4.1 32.1 1.0 ND1 B:HIS213 4.1 33.3 1.0 CG B:HIS213 4.2 33.2 1.0 C2A B:HEC1248 4.3 42.2 1.0 C2D B:HEC1248 4.3 41.8 1.0 C2B B:HEC1248 4.3 39.3 1.0 C3D B:HEC1248 4.3 43.7 1.0 C2C B:HEC1248 4.3 43.2 1.0 C3A B:HEC1248 4.3 40.5 1.0 C3C B:HEC1248 4.3 43.6 1.0 C3B B:HEC1248 4.4 37.6 1.0 O A:PRO247 4.9 51.6 1.0

Iron binding site 4 out of 8 in the A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1249 b:31.5 occ:1.00 FE B:HEC1249 0.0 31.5 1.0 ND B:HEC1249 1.9 28.7 1.0 NA B:HEC1249 2.0 25.5 1.0 NC B:HEC1249 2.0 25.9 1.0 NE2 A:HIS148 2.0 24.5 1.0 NE2 B:HIS233 2.0 30.3 1.0 NB B:HEC1249 2.0 22.8 1.0 CE1 B:HIS233 2.9 28.6 1.0 CE1 A:HIS148 2.9 25.4 1.0 C1D B:HEC1249 2.9 31.9 1.0 C4D B:HEC1249 3.0 28.8 1.0 CD2 A:HIS148 3.0 27.2 1.0 C1A B:HEC1249 3.0 26.0 1.0 C1C B:HEC1249 3.0 27.9 1.0 C4A B:HEC1249 3.0 30.3 1.0 C4B B:HEC1249 3.0 24.3 1.0 C4C B:HEC1249 3.1 24.3 1.0 C1B B:HEC1249 3.1 23.2 1.0 CD2 B:HIS233 3.1 30.2 1.0 CHA B:HEC1249 3.3 26.3 1.0 CHD B:HEC1249 3.4 27.6 1.0 CHC B:HEC1249 3.4 27.1 1.0 CHB B:HEC1249 3.5 25.4 1.0 ND1 A:HIS148 4.0 28.1 1.0 ND1 B:HIS233 4.1 30.7 1.0 CG A:HIS148 4.1 29.2 1.0 C2D B:HEC1249 4.2 29.7 1.0 CG B:HIS233 4.2 30.1 1.0 C3D B:HEC1249 4.2 31.4 1.0 C2C B:HEC1249 4.3 30.1 1.0 C2A B:HEC1249 4.3 29.2 1.0 C3A B:HEC1249 4.3 30.4 1.0 C3C B:HEC1249 4.3 25.0 1.0 C3B B:HEC1249 4.3 27.4 1.0 C2B B:HEC1249 4.4 26.3 1.0

Iron binding site 5 out of 8 in the A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1248 b:35.1 occ:1.00 FE C:HEC1248 0.0 35.1 1.0 ND C:HEC1248 1.9 29.7 1.0 NA C:HEC1248 2.0 34.8 1.0 NE2 D:HIS148 2.0 30.9 1.0 NE2 C:HIS233 2.0 36.2 1.0 NB C:HEC1248 2.0 31.0 1.0 NC C:HEC1248 2.0 34.0 1.0 CE1 C:HIS233 2.9 35.4 1.0 CE1 D:HIS148 2.9 32.3 1.0 C1D C:HEC1248 3.0 32.4 1.0 C4D C:HEC1248 3.0 30.7 1.0 C4A C:HEC1248 3.0 36.5 1.0 C1A C:HEC1248 3.0 35.0 1.0 C1B C:HEC1248 3.0 32.2 1.0 CD2 D:HIS148 3.1 23.4 1.0 C4C C:HEC1248 3.1 29.7 1.0 C4B C:HEC1248 3.1 30.2 1.0 CD2 C:HIS233 3.1 33.4 1.0 C1C C:HEC1248 3.1 27.9 1.0 CHD C:HEC1248 3.4 30.0 1.0 CHA C:HEC1248 3.4 29.0 1.0 CHB C:HEC1248 3.4 34.8 1.0 CHC C:HEC1248 3.5 27.5 1.0 ND1 D:HIS148 4.1 28.6 1.0 ND1 C:HIS233 4.1 37.5 1.0 CG D:HIS148 4.2 27.9 1.0 C3D C:HEC1248 4.2 31.7 1.0 C2D C:HEC1248 4.2 31.5 1.0 CG C:HIS233 4.2 37.4 1.0 C3A C:HEC1248 4.2 33.5 1.0 C2A C:HEC1248 4.3 32.8 1.0 C2B C:HEC1248 4.3 29.9 1.0 C3C C:HEC1248 4.3 31.6 1.0 C3B C:HEC1248 4.3 31.9 1.0 C2C C:HEC1248 4.4 29.5 1.0

Iron binding site 6 out of 8 in the A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe1248 b:42.4 occ:1.00 FE D:HEC1248 0.0 42.4 1.0 NE2 C:HIS213 1.9 41.2 1.0 NC D:HEC1248 1.9 43.9 1.0 NE2 D:HIS246 1.9 41.6 1.0 ND D:HEC1248 2.0 47.2 1.0 NB D:HEC1248 2.0 45.0 1.0 NA D:HEC1248 2.0 42.0 1.0 CE1 C:HIS213 2.8 39.7 1.0 CD2 D:HIS246 2.9 40.9 1.0 C4C D:HEC1248 3.0 47.8 1.0 CE1 D:HIS246 3.0 41.0 1.0 C1C D:HEC1248 3.0 45.4 1.0 C1D D:HEC1248 3.0 49.4 1.0 CD2 C:HIS213 3.0 39.1 1.0 C4B D:HEC1248 3.1 44.4 1.0 C1B D:HEC1248 3.1 46.4 1.0 C4D D:HEC1248 3.1 46.8 1.0 C1A D:HEC1248 3.1 42.4 1.0 C4A D:HEC1248 3.1 43.6 1.0 CHD D:HEC1248 3.3 48.9 1.0 CHC D:HEC1248 3.4 43.2 1.0 CHA D:HEC1248 3.5 46.1 1.0 CHB D:HEC1248 3.5 45.2 1.0 ND1 C:HIS213 4.0 40.9 1.0 CG D:HIS246 4.1 42.1 1.0 ND1 D:HIS246 4.1 43.4 1.0 CG C:HIS213 4.1 38.9 1.0 C3C D:HEC1248 4.2 43.6 1.0 C2C D:HEC1248 4.2 44.9 1.0 C2D D:HEC1248 4.3 46.1 1.0 C2A D:HEC1248 4.4 42.1 1.0 C2B D:HEC1248 4.4 43.8 1.0 C3A D:HEC1248 4.4 42.7 1.0 C3B D:HEC1248 4.4 45.7 1.0 C3D D:HEC1248 4.4 46.6 1.0

Iron binding site 7 out of 8 in the A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe1249 b:43.1 occ:1.00 FE D:HEC1249 0.0 43.1 1.0 NA D:HEC1249 2.0 35.7 1.0 ND D:HEC1249 2.0 43.2 1.0 NE2 D:HIS213 2.0 42.5 1.0 NC D:HEC1249 2.0 42.3 1.0 NE2 C:HIS246 2.0 40.9 1.0 NB D:HEC1249 2.0 40.4 1.0 CE1 D:HIS213 2.8 43.1 1.0 CE1 C:HIS246 3.0 41.9 1.0 C4D D:HEC1249 3.0 43.4 1.0 C1A D:HEC1249 3.0 39.4 1.0 C1B D:HEC1249 3.1 39.0 1.0 C4A D:HEC1249 3.1 33.4 1.0 C1C D:HEC1249 3.1 38.9 1.0 CD2 C:HIS246 3.1 41.5 1.0 C1D D:HEC1249 3.1 42.6 1.0 C4C D:HEC1249 3.1 44.5 1.0 C4B D:HEC1249 3.1 36.3 1.0 CD2 D:HIS213 3.1 40.0 1.0 CHA D:HEC1249 3.3 40.2 1.0 CHB D:HEC1249 3.4 33.8 1.0 CHC D:HEC1249 3.5 34.4 1.0 CHD D:HEC1249 3.5 41.6 1.0 ND1 D:HIS213 4.0 43.5 1.0 ND1 C:HIS246 4.1 42.8 1.0 CG D:HIS213 4.2 42.5 1.0 CG C:HIS246 4.2 46.7 1.0 C2A D:HEC1249 4.2 40.4 1.0 C3D D:HEC1249 4.3 46.3 1.0 C2C D:HEC1249 4.3 38.8 1.0 C3A D:HEC1249 4.3 35.6 1.0 C2B D:HEC1249 4.3 38.1 1.0 C3C D:HEC1249 4.3 40.8 1.0 C2D D:HEC1249 4.3 42.9 1.0 C3B D:HEC1249 4.3 36.8 1.0

Iron binding site 8 out of 8 in the A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe1250 b:31.2 occ:1.00 FE D:HEC1250 0.0 31.2 1.0 NB D:HEC1250 1.9 26.8 1.0 NC D:HEC1250 1.9 27.6 1.0 ND D:HEC1250 2.0 21.4 1.0 NA D:HEC1250 2.0 30.5 1.0 NE2 D:HIS233 2.0 32.2 1.0 NE2 C:HIS148 2.0 28.5 1.0 C1B D:HEC1250 2.9 30.0 1.0 CE1 D:HIS233 2.9 28.6 1.0 C4C D:HEC1250 3.0 28.7 1.0 C1D D:HEC1250 3.0 24.3 1.0 CE1 C:HIS148 3.0 25.0 1.0 C4B D:HEC1250 3.0 27.1 1.0 C1C D:HEC1250 3.0 22.9 1.0 C4A D:HEC1250 3.0 32.1 1.0 C4D D:HEC1250 3.0 25.0 1.0 C1A D:HEC1250 3.0 28.8 1.0 CD2 D:HIS233 3.1 32.4 1.0 CD2 C:HIS148 3.1 27.9 1.0 CHD D:HEC1250 3.3 28.0 1.0 CHB D:HEC1250 3.3 31.3 1.0 CHC D:HEC1250 3.3 22.2 1.0 CHA D:HEC1250 3.4 25.0 1.0 ND1 D:HIS233 4.1 31.6 1.0 ND1 C:HIS148 4.1 31.5 1.0 C2B D:HEC1250 4.2 29.0 1.0 CG D:HIS233 4.2 31.8 1.0 C2D D:HEC1250 4.2 21.7 1.0 CG C:HIS148 4.2 28.9 1.0 C3C D:HEC1250 4.2 28.4 1.0 C2C D:HEC1250 4.2 28.0 1.0 C3D D:HEC1250 4.2 23.7 1.0 C3A D:HEC1250 4.3 31.0 1.0 C3B D:HEC1250 4.3 28.9 1.0 C2A D:HEC1250 4.3 32.4 1.0

I.A.Abreu, A.I.Lourenco, A.V.Xavier, J.Legall, A.V.Coelho, P.M.Matias, D.M.Pinto, M.Armenia Carrondo, M.Teixeira, L.M.Saraiva. A Novel Iron Centre in the Split-Soret Cytochrome C From Desulfovibrio Desulfuricans Atcc 27774 J.Biol.Inorg.Chem. V. 8 360 2003.
ISSN: ISSN 0949-8257
PubMed: 12589573
DOI: 10.1007/S00775-002-0426-3