Iron in PDB 1i55: Cytochrome C (Tuna) with 2ZN:1FE Mixed-Metal Porphyrins

The structure of Cytochrome C (Tuna) with 2ZN:1FE Mixed-Metal Porphyrins, PDB code: 1i55 was solved by B.R.Crane, F.A.Tezcan, J.R.Winkler, H.B.Gray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.64 / 2.00
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	74.359, 74.359, 35.703, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 24.7

The structure of Cytochrome C (Tuna) with 2ZN:1FE Mixed-Metal Porphyrins also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Cytochrome C (Tuna) with 2ZN:1FE Mixed-Metal Porphyrins (pdb code 1i55). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Cytochrome C (Tuna) with 2ZN:1FE Mixed-Metal Porphyrins, PDB code: 1i55:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Cytochrome C (Tuna) with 2ZN:1FE Mixed-Metal Porphyrins


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome C (Tuna) with 2ZN:1FE Mixed-Metal Porphyrins within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1104 b:13.6 occ:0.39 FE A:HEM1104 0.0 13.6 0.4 ZN A:ZNH1105 0.0 13.6 0.6 NE2 A:HIS18 2.0 13.6 1.0 NB A:ZNH1105 2.0 13.6 0.6 ND A:HEM1104 2.0 13.5 0.4 NB A:HEM1104 2.0 13.6 0.4 NC A:HEM1104 2.0 13.6 0.4 NA A:HEM1104 2.0 13.6 0.4 NC A:ZNH1105 2.0 13.6 0.6 ND A:ZNH1105 2.1 13.6 0.6 NA A:ZNH1105 2.1 13.7 0.6 SD A:MET80 2.6 13.4 1.0 CD2 A:HIS18 3.0 13.9 1.0 CE1 A:HIS18 3.0 13.8 1.0 C1B A:ZNH1105 3.1 13.7 0.6 C1B A:HEM1104 3.1 13.6 0.4 C4A A:HEM1104 3.1 13.6 0.4 C4A A:ZNH1105 3.1 13.7 0.6 C1C A:ZNH1105 3.1 13.7 0.6 C1D A:HEM1104 3.1 13.6 0.4 C1C A:HEM1104 3.1 13.7 0.4 C4B A:ZNH1105 3.1 13.7 0.6 C1D A:ZNH1105 3.1 13.6 0.6 C4B A:HEM1104 3.1 13.6 0.4 C4C A:HEM1104 3.1 13.6 0.4 C4C A:ZNH1105 3.1 13.7 0.6 C1A A:HEM1104 3.1 13.6 0.4 C4D A:HEM1104 3.1 13.6 0.4 C1A A:ZNH1105 3.1 13.7 0.6 C4D A:ZNH1105 3.1 13.6 0.6 CHB A:ZNH1105 3.4 13.7 0.6 CHB A:HEM1104 3.4 13.6 0.4 CHD A:HEM1104 3.4 13.6 0.4 CHC A:ZNH1105 3.4 13.7 0.6 CHC A:HEM1104 3.4 13.6 0.4 CHD A:ZNH1105 3.4 13.7 0.6 CHA A:HEM1104 3.4 13.5 0.4 CHA A:ZNH1105 3.4 13.6 0.6 CG A:MET80 3.5 12.9 1.0 CE A:MET80 3.6 13.0 1.0 ND1 A:HIS18 4.1 13.8 1.0 CG A:HIS18 4.1 13.9 1.0 C2B A:ZNH1105 4.3 13.7 0.6 C2B A:HEM1104 4.3 13.6 0.4 C3A A:HEM1104 4.3 13.7 0.4 C3A A:ZNH1105 4.3 13.7 0.6 C3B A:ZNH1105 4.3 13.7 0.6 C2C A:HEM1104 4.3 13.7 0.4 C2C A:ZNH1105 4.3 13.8 0.6 C2D A:HEM1104 4.3 13.5 0.4 C2A A:HEM1104 4.3 13.7 0.4 C3B A:HEM1104 4.3 13.6 0.4 C2A A:ZNH1105 4.3 13.7 0.6 C2D A:ZNH1105 4.3 13.6 0.6 C3C A:HEM1104 4.3 13.7 0.4 C3D A:HEM1104 4.3 13.5 0.4 C3C A:ZNH1105 4.3 13.7 0.6 C3D A:ZNH1105 4.3 13.6 0.6 CB A:MET80 4.4 12.8 1.0 OH A:TYR67 5.0 15.2 1.0

Iron binding site 2 out of 2 in the Cytochrome C (Tuna) with 2ZN:1FE Mixed-Metal Porphyrins


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome C (Tuna) with 2ZN:1FE Mixed-Metal Porphyrins within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1106 b:14.0 occ:0.39 FE B:HEM1106 0.0 14.0 0.4 ZN B:ZNH1107 0.0 14.2 0.6 NE2 B:HIS18 2.0 14.4 1.0 ND B:ZNH1107 2.0 13.9 0.6 NB B:HEM1106 2.0 14.1 0.4 NA B:HEM1106 2.0 14.0 0.4 ND B:HEM1106 2.0 13.9 0.4 NC B:ZNH1107 2.1 14.1 0.6 NA B:ZNH1107 2.1 14.1 0.6 NB B:ZNH1107 2.1 14.1 0.6 NC B:HEM1106 2.1 14.0 0.4 SD B:MET80 2.4 13.7 1.0 CD2 B:HIS18 3.0 14.8 1.0 CE1 B:HIS18 3.0 14.8 1.0 C4A B:HEM1106 3.1 14.1 0.4 C1D B:ZNH1107 3.1 13.9 0.6 C4D B:ZNH1107 3.1 13.9 0.6 C1B B:HEM1106 3.1 14.1 0.4 C4A B:ZNH1107 3.1 14.2 0.6 C1D B:HEM1106 3.1 13.9 0.4 C4D B:HEM1106 3.1 13.9 0.4 C1A B:HEM1106 3.1 14.0 0.4 C1B B:ZNH1107 3.1 14.2 0.6 C4C B:ZNH1107 3.1 14.1 0.6 C4B B:HEM1106 3.1 14.2 0.4 C1C B:ZNH1107 3.1 14.1 0.6 C1A B:ZNH1107 3.1 14.1 0.6 C4C B:HEM1106 3.1 14.0 0.4 C1C B:HEM1106 3.1 14.1 0.4 C4B B:ZNH1107 3.1 14.2 0.6 CHD B:ZNH1107 3.4 14.0 0.6 CHA B:ZNH1107 3.4 14.0 0.6 CHB B:HEM1106 3.4 14.1 0.4 CHA B:HEM1106 3.4 13.9 0.4 CHD B:HEM1106 3.4 13.9 0.4 CHB B:ZNH1107 3.4 14.2 0.6 CHC B:HEM1106 3.4 14.1 0.4 CE B:MET80 3.4 13.4 1.0 CHC B:ZNH1107 3.4 14.2 0.6 CG B:MET80 3.5 13.2 1.0 ND1 B:HIS18 4.1 14.8 1.0 CG B:HIS18 4.1 14.9 1.0 C3D B:ZNH1107 4.3 13.9 0.6 C2D B:ZNH1107 4.3 13.9 0.6 C3D B:HEM1106 4.3 13.8 0.4 C3A B:HEM1106 4.3 14.1 0.4 C2D B:HEM1106 4.3 13.8 0.4 C2A B:HEM1106 4.3 14.1 0.4 C2B B:HEM1106 4.3 14.2 0.4 C3A B:ZNH1107 4.3 14.2 0.6 C2A B:ZNH1107 4.3 14.2 0.6 C2C B:ZNH1107 4.3 14.1 0.6 C2C B:HEM1106 4.3 14.1 0.4 C3C B:ZNH1107 4.3 14.1 0.6 C3B B:HEM1106 4.3 14.2 0.4 C2B B:ZNH1107 4.3 14.3 0.6 C3C B:HEM1106 4.3 14.0 0.4 C3B B:ZNH1107 4.3 14.3 0.6 CB B:MET80 4.4 13.2 1.0 OH B:TYR67 4.9 13.7 1.0

F.A.Tezcan, B.R.Crane, J.R.Winkler, H.B.Gray. Electron Tunneling in Protein Crystals. Proc.Natl.Acad.Sci.Usa V. 98 5002 2001.
ISSN: ISSN 0027-8424
PubMed: 11296248
DOI: 10.1073/PNAS.081072898