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

Protein crystallography data

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

Iron Binding Sites:

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 1nbb

Go back to Iron Binding Sites List in 1nbb
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 1nbb

Go back to Iron Binding Sites List in 1nbb
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

Reference:

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
Page generated: Sat Aug 3 11:30:06 2024

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