Iron in PDB 1i54: Cytochrome C (Tuna) 2FE:1ZN Mixed-Metal Porphyrins

The structure of Cytochrome C (Tuna) 2FE:1ZN Mixed-Metal Porphyrins, PDB code: 1i54 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)	21.10 / 1.50
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	74.180, 74.180, 35.538, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 24.7

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

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Cytochrome C (Tuna) 2FE:1ZN Mixed-Metal Porphyrins (pdb code 1i54). 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) 2FE:1ZN Mixed-Metal Porphyrins, PDB code: 1i54:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Cytochrome C (Tuna) 2FE:1ZN 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) 2FE:1ZN Mixed-Metal Porphyrins within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1104 b:9.2 occ:0.68 FE A:HEM1104 0.0 9.2 0.7 ZN A:ZNH1105 0.0 9.3 0.3 NE2 A:HIS18 2.0 9.6 1.0 NA A:HEM1104 2.0 9.1 0.7 NA A:ZNH1105 2.0 9.1 0.3 NB A:HEM1104 2.0 9.1 0.7 NB A:ZNH1105 2.0 9.2 0.3 ND A:HEM1104 2.0 9.1 0.7 NC A:HEM1104 2.0 9.2 0.7 ND A:ZNH1105 2.0 9.1 0.3 NC A:ZNH1105 2.0 9.2 0.3 SD A:MET80 2.5 9.6 1.0 CE1 A:HIS18 2.9 9.6 1.0 CD2 A:HIS18 3.0 9.7 1.0 C4A A:HEM1104 3.0 9.0 0.7 C4A A:ZNH1105 3.0 9.1 0.3 C1B A:HEM1104 3.0 9.1 0.7 C1D A:HEM1104 3.0 9.1 0.7 C1B A:ZNH1105 3.0 9.2 0.3 C1D A:ZNH1105 3.1 9.1 0.3 C1A A:ZNH1105 3.1 9.1 0.3 C1A A:HEM1104 3.1 9.0 0.7 C4B A:HEM1104 3.1 9.2 0.7 C1C A:ZNH1105 3.1 9.2 0.3 C1C A:HEM1104 3.1 9.2 0.7 C4C A:ZNH1105 3.1 9.2 0.3 C4B A:ZNH1105 3.1 9.2 0.3 C4C A:HEM1104 3.1 9.2 0.7 C4D A:ZNH1105 3.1 9.1 0.3 C4D A:HEM1104 3.1 9.1 0.7 CHB A:HEM1104 3.4 9.1 0.7 CHB A:ZNH1105 3.4 9.1 0.3 CHD A:HEM1104 3.4 9.1 0.7 CHD A:ZNH1105 3.4 9.2 0.3 CHC A:ZNH1105 3.4 9.2 0.3 CHC A:HEM1104 3.4 9.1 0.7 CHA A:ZNH1105 3.4 9.1 0.3 CHA A:HEM1104 3.4 9.0 0.7 CG A:MET80 3.4 9.9 1.0 CE A:MET80 3.5 9.9 1.0 ND1 A:HIS18 4.1 9.6 1.0 CG A:HIS18 4.1 9.8 1.0 C3A A:HEM1104 4.3 9.0 0.7 C3A A:ZNH1105 4.3 9.0 0.3 C2A A:HEM1104 4.3 9.0 0.7 C2A A:ZNH1105 4.3 9.0 0.3 C2B A:HEM1104 4.3 9.1 0.7 C2B A:ZNH1105 4.3 9.2 0.3 C2D A:ZNH1105 4.3 9.1 0.3 C2D A:HEM1104 4.3 9.1 0.7 C3B A:HEM1104 4.3 9.2 0.7 C2C A:HEM1104 4.3 9.2 0.7 C2C A:ZNH1105 4.3 9.2 0.3 C3B A:ZNH1105 4.3 9.2 0.3 C3D A:ZNH1105 4.3 9.1 0.3 C3C A:HEM1104 4.3 9.2 0.7 C3C A:ZNH1105 4.3 9.2 0.3 CB A:MET80 4.3 9.9 1.0 C3D A:HEM1104 4.3 9.0 0.7 OH A:TYR67 4.9 10.9 1.0

Iron binding site 2 out of 2 in the Cytochrome C (Tuna) 2FE:1ZN 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) 2FE:1ZN Mixed-Metal Porphyrins within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1106 b:9.8 occ:0.68 FE B:HEM1106 0.0 9.8 0.7 ZN B:ZNH1107 0.0 9.8 0.3 NE2 B:HIS18 2.0 10.1 1.0 NA B:ZNH1107 2.0 9.8 0.3 NA B:HEM1106 2.0 9.7 0.7 NB B:HEM1106 2.0 9.8 0.7 ND B:HEM1106 2.0 9.7 0.7 ND B:ZNH1107 2.0 9.8 0.3 NB B:ZNH1107 2.0 9.9 0.3 NC B:ZNH1107 2.1 9.8 0.3 NC B:HEM1106 2.1 9.8 0.7 SD B:MET80 2.4 9.6 1.0 CE1 B:HIS18 3.0 10.1 1.0 CD2 B:HIS18 3.0 10.2 1.0 C4A B:HEM1106 3.0 9.7 0.7 C1B B:HEM1106 3.0 9.8 0.7 C4A B:ZNH1107 3.0 9.8 0.3 C1B B:ZNH1107 3.0 9.9 0.3 C1A B:HEM1106 3.0 9.7 0.7 C1A B:ZNH1107 3.1 9.8 0.3 C1D B:HEM1106 3.1 9.7 0.7 C1D B:ZNH1107 3.1 9.7 0.3 C4D B:ZNH1107 3.1 9.7 0.3 C4D B:HEM1106 3.1 9.7 0.7 C4B B:HEM1106 3.1 9.8 0.7 C4B B:ZNH1107 3.1 9.9 0.3 C4C B:HEM1106 3.1 9.7 0.7 C4C B:ZNH1107 3.1 9.8 0.3 C1C B:ZNH1107 3.1 9.8 0.3 C1C B:HEM1106 3.1 9.8 0.7 CHB B:HEM1106 3.4 9.8 0.7 CHB B:ZNH1107 3.4 9.8 0.3 CHA B:HEM1106 3.4 9.7 0.7 CHA B:ZNH1107 3.4 9.7 0.3 CHD B:HEM1106 3.4 9.7 0.7 CHD B:ZNH1107 3.4 9.8 0.3 CHC B:ZNH1107 3.4 9.9 0.3 CHC B:HEM1106 3.4 9.8 0.7 CG B:MET80 3.5 9.6 1.0 CE B:MET80 3.5 9.8 1.0 ND1 B:HIS18 4.1 10.2 1.0 CG B:HIS18 4.1 10.3 1.0 C3A B:HEM1106 4.3 9.7 0.7 C3A B:ZNH1107 4.3 9.8 0.3 C2A B:ZNH1107 4.3 9.8 0.3 C2B B:HEM1106 4.3 9.8 0.7 C2A B:HEM1106 4.3 9.7 0.7 C2B B:ZNH1107 4.3 9.9 0.3 C2D B:ZNH1107 4.3 9.7 0.3 C2D B:HEM1106 4.3 9.6 0.7 C3B B:HEM1106 4.3 9.9 0.7 C3B B:ZNH1107 4.3 9.9 0.3 C3D B:ZNH1107 4.3 9.7 0.3 C3D B:HEM1106 4.3 9.6 0.7 CB B:MET80 4.3 9.5 1.0 C2C B:HEM1106 4.3 9.8 0.7 C3C B:HEM1106 4.3 9.8 0.7 C2C B:ZNH1107 4.3 9.8 0.3 C3C B:ZNH1107 4.3 9.8 0.3 OH B:TYR67 4.9 11.2 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