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Iron in PDB 5lyc: Cytochrome C in Complex with Phosphonato-Calix[6]Arene

Protein crystallography data

The structure of Cytochrome C in Complex with Phosphonato-Calix[6]Arene, PDB code: 5lyc was solved by M.L.Rennie, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 52.78 / 1.80
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 54.570, 54.570, 208.010, 90.00, 90.00, 90.00
R / Rfree (%) 16.9 / 19.9

Iron Binding Sites:

The binding sites of Iron atom in the Cytochrome C in Complex with Phosphonato-Calix[6]Arene (pdb code 5lyc). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Cytochrome C in Complex with Phosphonato-Calix[6]Arene, PDB code: 5lyc:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 5lyc

Go back to Iron Binding Sites List in 5lyc
Iron binding site 1 out of 2 in the Cytochrome C in Complex with Phosphonato-Calix[6]Arene


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome C in Complex with Phosphonato-Calix[6]Arene within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:17.7
occ:1.00
FE A:HEC201 0.0 17.7 1.0
ND A:HEC201 1.9 17.5 1.0
NA A:HEC201 2.0 16.6 1.0
NE2 A:HIS18 2.0 16.9 1.0
NB A:HEC201 2.1 16.9 1.0
NC A:HEC201 2.1 17.6 1.0
SD A:MET80 2.3 20.2 1.0
CE1 A:HIS18 3.0 17.0 1.0
C1D A:HEC201 3.0 18.0 1.0
C4D A:HEC201 3.0 17.6 1.0
C1B A:HEC201 3.0 17.0 1.0
C4A A:HEC201 3.0 16.7 1.0
CD2 A:HIS18 3.0 16.5 1.0
C1A A:HEC201 3.0 16.9 1.0
C4B A:HEC201 3.0 17.0 1.0
C4C A:HEC201 3.0 18.3 1.0
C1C A:HEC201 3.1 17.9 1.0
CE A:MET80 3.3 20.1 1.0
CHB A:HEC201 3.4 16.5 1.0
CG A:MET80 3.4 21.2 1.0
CHA A:HEC201 3.4 17.4 1.0
CHD A:HEC201 3.4 18.4 1.0
CHC A:HEC201 3.4 17.4 1.0
ND1 A:HIS18 4.1 16.6 1.0
CG A:HIS18 4.2 16.2 1.0
CB A:MET80 4.2 23.0 1.0
C2D A:HEC201 4.2 19.1 1.0
C3A A:HEC201 4.2 16.6 1.0
C3D A:HEC201 4.3 18.7 1.0
C2A A:HEC201 4.3 16.7 1.0
C2B A:HEC201 4.3 16.7 1.0
C2C A:HEC201 4.3 18.3 1.0
C3C A:HEC201 4.3 18.6 1.0
C3B A:HEC201 4.3 16.7 1.0
OH A:TYR67 4.8 23.0 1.0

Iron binding site 2 out of 2 in 5lyc

Go back to Iron Binding Sites List in 5lyc
Iron binding site 2 out of 2 in the Cytochrome C in Complex with Phosphonato-Calix[6]Arene


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome C in Complex with Phosphonato-Calix[6]Arene within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:17.2
occ:1.00
FE B:HEC201 0.0 17.2 1.0
ND B:HEC201 1.9 17.1 1.0
NE2 B:HIS18 2.0 16.4 1.0
NA B:HEC201 2.0 16.0 1.0
NC B:HEC201 2.0 17.0 1.0
NB B:HEC201 2.0 16.1 1.0
SD B:MET80 2.3 19.1 1.0
CE1 B:HIS18 2.9 16.0 1.0
C1D B:HEC201 3.0 17.8 1.0
C4D B:HEC201 3.0 17.4 1.0
CD2 B:HIS18 3.0 15.7 1.0
C1B B:HEC201 3.0 16.2 1.0
C4B B:HEC201 3.0 16.6 1.0
C1A B:HEC201 3.0 16.5 1.0
C4C B:HEC201 3.0 18.2 1.0
C4A B:HEC201 3.0 15.9 1.0
C1C B:HEC201 3.1 17.6 1.0
CE B:MET80 3.4 19.2 1.0
CG B:MET80 3.4 20.6 1.0
CHA B:HEC201 3.4 16.9 1.0
CHD B:HEC201 3.4 18.3 1.0
CHB B:HEC201 3.4 15.7 1.0
CHC B:HEC201 3.4 17.0 1.0
ND1 B:HIS18 4.0 15.4 1.0
CG B:HIS18 4.1 15.6 1.0
C2D B:HEC201 4.2 18.4 1.0
CB B:MET80 4.2 21.3 1.0
C2A B:HEC201 4.2 16.1 1.0
C2B B:HEC201 4.3 16.5 1.0
C3D B:HEC201 4.3 17.8 1.0
C3A B:HEC201 4.3 15.8 1.0
C2C B:HEC201 4.3 18.4 1.0
C3C B:HEC201 4.3 18.5 1.0
C3B B:HEC201 4.3 16.6 1.0
OH B:TYR67 4.8 21.2 1.0

Reference:

M.L.Rennie, A.M.Doolan, C.L.Raston, P.B.Crowley. Protein Dimerization on A Phosphonated Calix[6]Arene Disc. Angew. Chem. Int. Ed. Engl. V. 56 5517 2017.
ISSN: ESSN 1521-3773
PubMed: 28407337
DOI: 10.1002/ANIE.201701500
Page generated: Tue Aug 6 04:53:10 2024

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