Iron in PDB 1c75: 0.97 A "Ab Initio" Crystal Structure of Cytochrome C-553 From Bacillus Pasteurii

The structure of 0.97 A "Ab Initio" Crystal Structure of Cytochrome C-553 From Bacillus Pasteurii, PDB code: 1c75 was solved by S.Benini, S.Ciurli, W.R.Rypniewski, K.S.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 0.97
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.144, 39.422, 44.021, 90.00, 90.00, 90.00
R / Rfree (%)	11.6 / n/a

The binding sites of Iron atom in the 0.97 A "Ab Initio" Crystal Structure of Cytochrome C-553 From Bacillus Pasteurii (pdb code 1c75). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the 0.97 A "Ab Initio" Crystal Structure of Cytochrome C-553 From Bacillus Pasteurii, PDB code: 1c75:

Iron binding site 1 out of 1 in the 0.97 A "Ab Initio" Crystal Structure of Cytochrome C-553 From Bacillus Pasteurii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 0.97 A "Ab Initio" Crystal Structure of Cytochrome C-553 From Bacillus Pasteurii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe93 b:5.1 occ:1.00 FE A:HEM93 0.0 5.1 1.0 ND A:HEM93 2.0 5.2 1.0 NB A:HEM93 2.0 5.1 1.0 NC A:HEM93 2.0 5.6 1.0 NE2 A:HIS36 2.0 5.2 1.0 NA A:HEM93 2.0 5.1 1.0 SD A:MET71 2.3 5.1 1.0 CE1 A:HIS36 2.9 5.5 1.0 C4D A:HEM93 3.0 5.8 1.0 C1D A:HEM93 3.0 6.0 1.0 C1B A:HEM93 3.0 5.5 1.0 C4B A:HEM93 3.0 5.8 1.0 C4C A:HEM93 3.0 6.4 1.0 C4A A:HEM93 3.0 5.2 1.0 C1A A:HEM93 3.0 5.7 1.0 C1C A:HEM93 3.1 6.5 1.0 CD2 A:HIS36 3.1 5.4 1.0 HE1 A:HIS36 3.1 6.5 1.0 HG3 A:MET71 3.3 6.7 1.0 HD2 A:HIS36 3.3 6.5 1.0 CHA A:HEM93 3.4 5.8 1.0 CHD A:HEM93 3.4 6.4 1.0 CG A:MET71 3.4 5.6 1.0 CE A:MET71 3.4 6.1 1.0 CHB A:HEM93 3.4 5.6 1.0 CHC A:HEM93 3.4 6.5 1.0 HE1 A:MET71 3.5 9.2 1.0 HE2 A:MET71 3.5 9.2 1.0 HB2 A:MET71 3.7 6.7 1.0 ND1 A:HIS36 4.1 6.0 1.0 CB A:MET71 4.1 5.6 1.0 CG A:HIS36 4.2 5.6 1.0 HG2 A:MET71 4.2 6.7 1.0 C3D A:HEM93 4.2 6.3 1.0 HE3 A:MET71 4.3 9.2 1.0 C3C A:HEM93 4.3 6.9 1.0 C2B A:HEM93 4.3 6.2 1.0 C2D A:HEM93 4.3 6.5 1.0 C2A A:HEM93 4.3 5.8 1.0 C3B A:HEM93 4.3 6.6 1.0 C3A A:HEM93 4.3 5.6 1.0 C2C A:HEM93 4.3 7.4 1.0 HHA A:HEM93 4.3 7.0 1.0 HHD A:HEM93 4.3 7.7 1.0 HHB A:HEM93 4.3 6.7 1.0 HHC A:HEM93 4.3 7.8 1.0 HG23 A:ILE48 4.4 11.6 1.0 HB3 A:MET71 4.6 6.7 1.0 HD12 A:ILE48 4.8 12.9 1.0 HG21 A:ILE63 4.8 11.7 1.0 HG23 A:ILE63 4.8 11.7 1.0 HD1 A:HIS36 4.9 7.1 1.0 HB2 A:CYS35 4.9 8.5 1.0 HB3 A:ALA45 4.9 10.3 1.0

S.Benini, A.Gonzalez, W.R.Rypniewski, K.S.Wilson, J.J.Van Beeumen, S.Ciurli. Crystal Structure of Oxidized Bacillus Pasteurii Cytochrome C553 at 0.97-A Resolution. Biochemistry V. 39 13115 2000.
ISSN: ISSN 0006-2960
PubMed: 11052663
DOI: 10.1021/BI000402J