Iron in PDB 1nbb: N-Butylisocyanide Bound Rhodobacter Capsulatus Cytochrome C'

The structure of N-Butylisocyanide Bound Rhodobacter Capsulatus Cytochrome C', PDB code: 1nbb was solved by T.H.Tahirov, S.Misaki, T.E.Meyer, M.A.Cusanovich, Y.Higuchi, N.Yasuoka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.40
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	47.734, 70.535, 89.652, 90.00, 87.02, 90.00
R / Rfree (%)	17.4 / n/a

The binding sites of Iron atom in the N-Butylisocyanide Bound Rhodobacter Capsulatus Cytochrome C' (pdb code 1nbb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the N-Butylisocyanide Bound Rhodobacter Capsulatus Cytochrome C', PDB code: 1nbb:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the N-Butylisocyanide Bound Rhodobacter Capsulatus Cytochrome C'


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of N-Butylisocyanide Bound Rhodobacter Capsulatus Cytochrome C' within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe130 b:15.0 occ:1.00 FE A:HEM130 0.0 15.0 1.0 NA A:HEM130 1.9 15.9 1.0 C A:NBN131 1.9 20.3 1.0 ND A:HEM130 1.9 17.4 1.0 NE2 A:HIS122 2.0 15.9 1.0 NB A:HEM130 2.0 11.1 1.0 NC A:HEM130 2.0 12.1 1.0 CE1 A:HIS122 2.9 15.8 1.0 C4A A:HEM130 3.0 17.0 1.0 C4D A:HEM130 3.0 20.9 1.0 C1A A:HEM130 3.0 18.8 1.0 C1B A:HEM130 3.0 8.8 1.0 C4B A:HEM130 3.0 12.3 1.0 C1C A:HEM130 3.1 12.7 1.0 C1D A:HEM130 3.1 16.4 1.0 N A:NBN131 3.1 22.2 1.0 C4C A:HEM130 3.1 12.8 1.0 CD2 A:HIS122 3.1 12.5 1.0 CHA A:HEM130 3.3 19.9 1.0 CHB A:HEM130 3.4 14.2 1.0 CHC A:HEM130 3.4 13.6 1.0 CHD A:HEM130 3.5 14.4 1.0 ND1 A:HIS122 4.1 17.8 1.0 C3A A:HEM130 4.2 18.6 1.0 C2A A:HEM130 4.2 19.5 1.0 CG A:HIS122 4.2 15.3 1.0 C3D A:HEM130 4.2 22.1 1.0 C2D A:HEM130 4.3 17.8 1.0 C2B A:HEM130 4.3 8.6 1.0 C2C A:HEM130 4.3 12.1 1.0 C3B A:HEM130 4.3 12.3 1.0 C3C A:HEM130 4.3 15.4 1.0 NH2 A:ARG126 4.4 24.2 1.0 C1 A:NBN131 4.4 24.9 1.0 CB A:PHE14 4.7 19.6 1.0 NE A:ARG126 4.7 25.8 1.0 C2 A:NBN131 4.9 27.0 1.0 CZ A:ARG126 4.9 28.8 1.0

Iron binding site 2 out of 2 in the N-Butylisocyanide Bound Rhodobacter Capsulatus Cytochrome C'


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of N-Butylisocyanide Bound Rhodobacter Capsulatus Cytochrome C' within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe130 b:16.8 occ:1.00 FE B:HEM130 0.0 16.8 1.0 C B:NBN131 1.9 20.2 1.0 NC B:HEM130 1.9 13.8 1.0 NE2 B:HIS122 1.9 15.4 1.0 NB B:HEM130 2.0 15.6 1.0 ND B:HEM130 2.0 20.8 1.0 NA B:HEM130 2.0 18.8 1.0 CE1 B:HIS122 2.8 13.6 1.0 C1C B:HEM130 3.0 10.8 1.0 C4B B:HEM130 3.0 12.7 1.0 C4C B:HEM130 3.0 16.9 1.0 N B:NBN131 3.0 24.0 1.0 CD2 B:HIS122 3.0 13.0 1.0 C4D B:HEM130 3.1 19.4 1.0 C1D B:HEM130 3.1 18.6 1.0 C1A B:HEM130 3.1 18.6 1.0 C4A B:HEM130 3.1 16.8 1.0 C1B B:HEM130 3.1 16.4 1.0 CHC B:HEM130 3.3 12.0 1.0 CHD B:HEM130 3.4 17.5 1.0 CHA B:HEM130 3.4 19.9 1.0 CHB B:HEM130 3.5 17.3 1.0 ND1 B:HIS122 4.0 12.6 1.0 CG B:HIS122 4.1 16.2 1.0 C2C B:HEM130 4.2 14.2 1.0 C3B B:HEM130 4.3 16.0 1.0 C3C B:HEM130 4.3 15.7 1.0 C2D B:HEM130 4.3 18.9 1.0 C3D B:HEM130 4.3 20.5 1.0 C2B B:HEM130 4.3 14.2 1.0 C2A B:HEM130 4.3 19.5 1.0 C3A B:HEM130 4.3 17.8 1.0 C1 B:NBN131 4.5 29.0 1.0 CB B:PHE14 4.6 23.6 1.0

T.H.Tahirov, S.Misaki, T.E.Meyer, M.A.Cusanovich, Y.Higuchi, N.Yasuoka. Concerted Movement of Side Chains in the Haem Vicinity Observed on Ligand Binding in Cytochrome C' From Rhodobacter Capsulatus. Nat.Struct.Biol. V. 3 459 1996.
ISSN: ISSN 1072-8368
PubMed: 8612077
DOI: 10.1038/NSB0596-459