Iron in PDB 1aqe: Crystal Structure of the Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd

The structure of Crystal Structure of the Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd, PDB code: 1aqe was solved by M.Czjzek, R.Haser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.00 / 2.20
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.620, 72.620, 60.322, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 23.9

The binding sites of Iron atom in the Crystal Structure of the Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd (pdb code 1aqe). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of the Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd, PDB code: 1aqe:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of the Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe119 b:12.6 occ:1.00 FE A:HEM119 0.0 12.6 1.0 NC A:HEM119 1.9 9.3 1.0 ND A:HEM119 1.9 10.8 1.0 NB A:HEM119 2.0 11.8 1.0 NA A:HEM119 2.0 13.1 1.0 NE2 A:HIS30 2.0 10.6 1.0 NE2 A:HIS42 2.0 7.8 1.0 CE1 A:HIS30 2.9 10.4 1.0 CE1 A:HIS42 2.9 7.9 1.0 C1C A:HEM119 3.0 10.3 1.0 C1D A:HEM119 3.0 11.3 1.0 C4C A:HEM119 3.0 10.0 1.0 C4B A:HEM119 3.0 12.5 1.0 C4D A:HEM119 3.0 10.5 1.0 C4A A:HEM119 3.0 12.6 1.0 C1A A:HEM119 3.0 13.6 1.0 C1B A:HEM119 3.0 12.5 1.0 CD2 A:HIS30 3.1 9.1 1.0 CD2 A:HIS42 3.1 8.4 1.0 CHC A:HEM119 3.4 9.6 1.0 CHD A:HEM119 3.4 9.7 1.0 CHA A:HEM119 3.4 12.0 1.0 CHB A:HEM119 3.4 12.1 1.0 ND1 A:HIS30 4.1 10.5 1.0 ND1 A:HIS42 4.1 8.7 1.0 CG A:HIS30 4.2 10.1 1.0 CG A:HIS42 4.2 9.6 1.0 C2C A:HEM119 4.2 10.0 1.0 C2D A:HEM119 4.2 10.5 1.0 C3C A:HEM119 4.2 10.6 1.0 C3D A:HEM119 4.2 9.0 1.0 C3B A:HEM119 4.2 12.5 1.0 C3A A:HEM119 4.3 13.4 1.0 C2B A:HEM119 4.3 12.0 1.0 C2A A:HEM119 4.3 13.2 1.0 HHD A:HEM119 4.3 0.0 1.0 HHC A:HEM119 4.4 0.0 1.0 HHA A:HEM119 4.4 0.0 1.0 HHB A:HEM119 4.5 0.0 1.0 CE2 A:PHE28 4.7 8.7 1.0 HD1 A:HIS30 5.0 0.0 1.0 HD1 A:HIS42 5.0 0.0 1.0

Iron binding site 2 out of 4 in the Crystal Structure of the Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe120 b:16.4 occ:1.00 FE A:HEM120 0.0 16.4 1.0 NA A:HEM120 1.9 15.2 1.0 NB A:HEM120 1.9 14.5 1.0 ND A:HEM120 2.0 17.9 1.0 NC A:HEM120 2.0 15.4 1.0 NE2 A:HIS60 2.0 14.8 1.0 NE2 A:HIS43 2.0 15.0 1.0 CE1 A:HIS43 2.8 15.6 1.0 CE1 A:HIS60 2.9 15.7 1.0 C1A A:HEM120 3.0 15.7 1.0 C4B A:HEM120 3.0 14.7 1.0 C4A A:HEM120 3.0 14.0 1.0 C1C A:HEM120 3.0 12.9 1.0 C4D A:HEM120 3.0 18.9 1.0 C1B A:HEM120 3.0 14.0 1.0 C1D A:HEM120 3.0 17.6 1.0 C4C A:HEM120 3.0 15.9 1.0 CD2 A:HIS60 3.1 14.7 1.0 CD2 A:HIS43 3.2 13.7 1.0 CHA A:HEM120 3.4 16.4 1.0 CHC A:HEM120 3.4 13.4 1.0 CHB A:HEM120 3.4 14.9 1.0 CHD A:HEM120 3.4 15.2 1.0 ND1 A:HIS43 4.0 14.0 1.0 ND1 A:HIS60 4.1 15.7 1.0 CG A:HIS60 4.2 15.6 1.0 C3A A:HEM120 4.2 13.9 1.0 C2A A:HEM120 4.2 14.9 1.0 C3B A:HEM120 4.2 13.5 1.0 C3D A:HEM120 4.2 20.4 1.0 C2D A:HEM120 4.2 19.0 1.0 CG A:HIS43 4.2 12.9 1.0 C2C A:HEM120 4.2 14.6 1.0 C2B A:HEM120 4.2 13.1 1.0 C3C A:HEM120 4.3 15.5 1.0 HHC A:HEM120 4.4 0.0 1.0 HHA A:HEM120 4.5 0.0 1.0 HHB A:HEM120 4.5 0.0 1.0 HHD A:HEM120 4.5 0.0 1.0 HD1 A:HIS43 4.9 0.0 1.0 CG2 A:THR44 5.0 13.0 1.0 HD1 A:HIS60 5.0 0.0 1.0

Iron binding site 3 out of 4 in the Crystal Structure of the Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of the Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe121 b:14.0 occ:1.00 FE A:HEM121 0.0 14.0 1.0 ND A:HEM121 1.9 12.6 1.0 NB A:HEM121 2.0 9.6 1.0 NE2 A:HIS33 2.0 10.2 1.0 NA A:HEM121 2.0 12.7 1.0 NC A:HEM121 2.0 11.4 1.0 NE2 A:HIS90 2.0 13.6 1.0 CE1 A:HIS90 2.9 13.2 1.0 CD2 A:HIS33 3.0 10.1 1.0 C4D A:HEM121 3.0 13.3 1.0 C1D A:HEM121 3.0 13.8 1.0 CE1 A:HIS33 3.0 11.1 1.0 C4B A:HEM121 3.0 9.5 1.0 C4C A:HEM121 3.0 12.2 1.0 C1A A:HEM121 3.0 11.5 1.0 C1C A:HEM121 3.0 9.6 1.0 C1B A:HEM121 3.0 10.3 1.0 C4A A:HEM121 3.0 11.7 1.0 CD2 A:HIS90 3.2 13.3 1.0 CHD A:HEM121 3.4 10.8 1.0 CHA A:HEM121 3.4 11.8 1.0 CHC A:HEM121 3.4 8.0 1.0 CHB A:HEM121 3.4 10.9 1.0 ND1 A:HIS33 4.1 10.1 1.0 CG A:HIS33 4.1 12.4 1.0 ND1 A:HIS90 4.1 11.7 1.0 C3D A:HEM121 4.2 16.1 1.0 C2D A:HEM121 4.2 14.0 1.0 C3C A:HEM121 4.2 12.7 1.0 C3B A:HEM121 4.2 11.0 1.0 C2A A:HEM121 4.3 12.5 1.0 C2C A:HEM121 4.3 11.6 1.0 C2B A:HEM121 4.3 8.8 1.0 C3A A:HEM121 4.3 11.5 1.0 CG A:HIS90 4.3 13.0 1.0 HHA A:HEM121 4.3 0.0 1.0 HHD A:HEM121 4.5 0.0 1.0 HHC A:HEM121 4.5 0.0 1.0 HHB A:HEM121 4.5 0.0 1.0 HD1 A:HIS90 5.0 0.0 1.0 HD1 A:HIS33 5.0 0.0 1.0

Iron binding site 4 out of 4 in the Crystal Structure of the Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of the Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe122 b:15.2 occ:1.00 FE A:HEM122 0.0 15.2 1.0 NA A:HEM122 1.9 15.4 1.0 NE2 A:HIS77 1.9 15.0 1.0 NC A:HEM122 2.0 13.5 1.0 NB A:HEM122 2.0 15.1 1.0 NE2 A:HIS109 2.0 15.9 1.0 ND A:HEM122 2.0 14.7 1.0 CE1 A:HIS77 2.8 15.3 1.0 CE1 A:HIS109 2.9 18.7 1.0 C1B A:HEM122 3.0 15.5 1.0 C4A A:HEM122 3.0 17.4 1.0 C1C A:HEM122 3.0 13.7 1.0 C4C A:HEM122 3.0 14.9 1.0 C4B A:HEM122 3.0 12.5 1.0 C1A A:HEM122 3.0 16.7 1.0 C4D A:HEM122 3.0 14.5 1.0 C1D A:HEM122 3.0 14.2 1.0 CD2 A:HIS109 3.1 16.6 1.0 CD2 A:HIS77 3.1 13.9 1.0 CHB A:HEM122 3.4 17.1 1.0 CHC A:HEM122 3.4 13.6 1.0 CHA A:HEM122 3.4 16.0 1.0 CHD A:HEM122 3.4 13.7 1.0 ND1 A:HIS77 4.0 13.6 1.0 ND1 A:HIS109 4.0 18.4 1.0 H2 A:HOH300 4.1 0.0 1.0 CG A:HIS77 4.2 12.8 1.0 CG A:HIS109 4.2 18.2 1.0 C2B A:HEM122 4.2 15.8 1.0 C3A A:HEM122 4.2 16.6 1.0 C2C A:HEM122 4.2 13.1 1.0 C3C A:HEM122 4.2 14.9 1.0 C2A A:HEM122 4.3 16.8 1.0 C3B A:HEM122 4.3 15.9 1.0 C3D A:HEM122 4.3 14.6 1.0 C2D A:HEM122 4.3 12.9 1.0 HHC A:HEM122 4.4 0.0 1.0 HHB A:HEM122 4.4 0.0 1.0 HHA A:HEM122 4.5 0.0 1.0 HHD A:HEM122 4.5 0.0 1.0 HD1 A:HIS77 4.8 0.0 1.0 HD1 A:HIS109 4.9 0.0 1.0

C.Aubert, M.T.Giudici-Orticoni, M.Czjzek, R.Haser, M.Bruschi, A.Dolla. Structural and Kinetic Studies of the Y73E Mutant of Octaheme Cytochrome C3 (Mr = 26 000) From Desulfovibrio Desulfuricans Norway. Biochemistry V. 37 2120 1998.
ISSN: ISSN 0006-2960
PubMed: 9485359
DOI: 10.1021/BI971656G