Iron in PDB 3nwv: Human Cytochrome C G41S

The structure of Human Cytochrome C G41S, PDB code: 3nwv was solved by R.D.Fagerlund, S.M.Wilbanks, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.79 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	184.632, 62.693, 35.470, 90.00, 89.78, 90.00
R / Rfree (%)	17.2 / 24.7

The binding sites of Iron atom in the Human Cytochrome C G41S (pdb code 3nwv). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Human Cytochrome C G41S, PDB code: 3nwv:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Human Cytochrome C G41S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Cytochrome C G41S within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe105 b:19.9 occ:1.00 FE A:HEC105 0.0 19.9 1.0 NE2 A:HIS18 1.9 18.5 1.0 ND A:HEC105 2.0 17.7 1.0 NC A:HEC105 2.1 17.8 1.0 NB A:HEC105 2.1 20.8 1.0 NA A:HEC105 2.1 16.7 1.0 SD A:MET80 2.3 21.4 1.0 CD2 A:HIS18 2.9 17.5 1.0 CE1 A:HIS18 2.9 18.1 1.0 C1D A:HEC105 2.9 18.4 1.0 C4C A:HEC105 3.0 18.7 1.0 C4D A:HEC105 3.0 18.3 1.0 C1B A:HEC105 3.0 20.5 1.0 C4A A:HEC105 3.1 17.4 1.0 C1A A:HEC105 3.1 15.3 1.0 C1C A:HEC105 3.1 17.2 1.0 C4B A:HEC105 3.1 18.6 1.0 CG A:MET80 3.3 20.7 1.0 CHD A:HEC105 3.3 20.0 1.0 CHB A:HEC105 3.4 18.6 1.0 CHA A:HEC105 3.5 16.8 1.0 CE A:MET80 3.5 21.1 1.0 CHC A:HEC105 3.5 18.7 1.0 ND1 A:HIS18 4.0 18.0 1.0 CG A:HIS18 4.1 17.7 1.0 CB A:MET80 4.2 21.5 1.0 C2D A:HEC105 4.2 18.7 1.0 C3D A:HEC105 4.2 20.0 1.0 C2B A:HEC105 4.2 19.6 1.0 C3C A:HEC105 4.3 17.7 1.0 C3B A:HEC105 4.3 18.9 1.0 C2C A:HEC105 4.3 18.6 1.0 C3A A:HEC105 4.3 15.7 1.0 C2A A:HEC105 4.3 16.1 1.0 OH A:TYR67 4.8 23.7 1.0

Iron binding site 2 out of 4 in the Human Cytochrome C G41S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Cytochrome C G41S within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe105 b:19.2 occ:1.00 FE B:HEC105 0.0 19.2 1.0 NE2 B:HIS18 1.9 17.7 1.0 NB B:HEC105 2.0 20.1 1.0 ND B:HEC105 2.1 19.9 1.0 NC B:HEC105 2.1 19.7 1.0 NA B:HEC105 2.1 17.8 1.0 SD B:MET80 2.3 20.2 1.0 CD2 B:HIS18 2.9 16.9 1.0 CE1 B:HIS18 2.9 19.0 1.0 C1B B:HEC105 3.0 18.9 1.0 C4B B:HEC105 3.0 19.1 1.0 C1D B:HEC105 3.1 20.1 1.0 C1C B:HEC105 3.1 18.9 1.0 C4C B:HEC105 3.1 19.7 1.0 C4A B:HEC105 3.1 18.3 1.0 C1A B:HEC105 3.1 17.9 1.0 C4D B:HEC105 3.1 18.4 1.0 CG B:MET80 3.4 21.6 1.0 CE B:MET80 3.4 19.0 1.0 CHB B:HEC105 3.4 17.7 1.0 CHD B:HEC105 3.4 21.8 1.0 CHC B:HEC105 3.4 19.0 1.0 CHA B:HEC105 3.5 18.1 1.0 ND1 B:HIS18 4.0 18.4 1.0 CG B:HIS18 4.0 17.2 1.0 C2B B:HEC105 4.2 19.3 1.0 C3B B:HEC105 4.2 18.0 1.0 CB B:MET80 4.2 21.5 1.0 C2D B:HEC105 4.3 18.9 1.0 C3D B:HEC105 4.3 18.4 1.0 C3C B:HEC105 4.3 19.4 1.0 C2C B:HEC105 4.3 20.2 1.0 C2A B:HEC105 4.3 18.2 1.0 C3A B:HEC105 4.3 16.6 1.0 OH B:TYR67 4.9 21.2 1.0

Iron binding site 3 out of 4 in the Human Cytochrome C G41S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Human Cytochrome C G41S within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe105 b:19.2 occ:1.00 FE C:HEC105 0.0 19.2 1.0 NB C:HEC105 2.0 18.6 1.0 NE2 C:HIS18 2.0 18.3 1.0 NC C:HEC105 2.0 17.0 1.0 NA C:HEC105 2.1 17.5 1.0 ND C:HEC105 2.1 16.7 1.0 SD C:MET80 2.3 19.1 1.0 C4B C:HEC105 3.0 16.4 1.0 CD2 C:HIS18 3.0 16.7 1.0 CE1 C:HIS18 3.0 17.6 1.0 C1B C:HEC105 3.0 19.8 1.0 C1C C:HEC105 3.0 15.5 1.0 C4C C:HEC105 3.0 17.8 1.0 C4A C:HEC105 3.1 17.7 1.0 C1D C:HEC105 3.1 18.2 1.0 C1A C:HEC105 3.1 17.9 1.0 C4D C:HEC105 3.1 17.8 1.0 CHC C:HEC105 3.4 17.2 1.0 CHD C:HEC105 3.4 18.1 1.0 CHB C:HEC105 3.4 19.3 1.0 CG C:MET80 3.4 18.0 1.0 CE C:MET80 3.5 19.4 1.0 CHA C:HEC105 3.5 17.8 1.0 ND1 C:HIS18 4.1 17.4 1.0 CG C:HIS18 4.1 18.2 1.0 C3B C:HEC105 4.2 14.2 1.0 CB C:MET80 4.2 19.4 1.0 C2B C:HEC105 4.2 18.8 1.0 C3A C:HEC105 4.3 16.1 1.0 C2C C:HEC105 4.3 16.0 1.0 C2A C:HEC105 4.3 17.4 1.0 C3C C:HEC105 4.3 15.9 1.0 C2D C:HEC105 4.3 18.1 1.0 C3D C:HEC105 4.3 17.3 1.0 OH C:TYR67 4.9 23.6 1.0

Iron binding site 4 out of 4 in the Human Cytochrome C G41S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Human Cytochrome C G41S within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe105 b:19.2 occ:1.00 FE D:HEC105 0.0 19.2 1.0 NE2 D:HIS18 2.0 17.5 1.0 NB D:HEC105 2.0 18.6 1.0 ND D:HEC105 2.0 15.2 1.0 NC D:HEC105 2.1 18.0 1.0 NA D:HEC105 2.1 17.8 1.0 SD D:MET80 2.3 18.3 1.0 CE1 D:HIS18 2.9 16.8 1.0 CD2 D:HIS18 3.0 15.8 1.0 C1B D:HEC105 3.0 19.4 1.0 C4B D:HEC105 3.0 17.4 1.0 C4D D:HEC105 3.0 16.3 1.0 C1D D:HEC105 3.1 15.5 1.0 C1C D:HEC105 3.1 17.0 1.0 C4C D:HEC105 3.1 18.0 1.0 C4A D:HEC105 3.1 17.6 1.0 C1A D:HEC105 3.1 16.9 1.0 CE D:MET80 3.4 18.1 1.0 CHC D:HEC105 3.4 18.1 1.0 CHB D:HEC105 3.4 17.9 1.0 CG D:MET80 3.4 16.6 1.0 CHA D:HEC105 3.4 16.9 1.0 CHD D:HEC105 3.5 18.2 1.0 ND1 D:HIS18 4.0 17.3 1.0 CG D:HIS18 4.1 17.8 1.0 CB D:MET80 4.2 18.4 1.0 C2B D:HEC105 4.2 18.0 1.0 C3B D:HEC105 4.2 15.7 1.0 C3D D:HEC105 4.3 15.5 1.0 C2D D:HEC105 4.3 15.9 1.0 C2C D:HEC105 4.3 17.5 1.0 C3A D:HEC105 4.3 17.2 1.0 C3C D:HEC105 4.3 15.6 1.0 C2A D:HEC105 4.3 17.1 1.0 OH D:TYR67 5.0 22.5 1.0

M.D.Liptak, R.D.Fagerlund, E.C.Ledgerwood, S.M.Wilbanks, K.L.Bren. The Proapoptotic G41S Mutation to Human Cytochrome C Alters the Heme Electronic Structure and Increases the Electron Self-Exchange Rate. J.Am.Chem.Soc. V. 133 1153 2011.
ISSN: ISSN 0002-7863
PubMed: 21192676
DOI: 10.1021/JA106328K