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Iron in PDB 5t8w: Cytochrome C - Calixarene Free

Protein crystallography data

The structure of Cytochrome C - Calixarene Free, PDB code: 5t8w was solved by A.M.Doolan, 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) 48.08 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 35.854, 55.436, 96.564, 90.00, 90.00, 90.00
R / Rfree (%) 16.9 / 20.9

Other elements in 5t8w:

The structure of Cytochrome C - Calixarene Free also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Cytochrome C - Calixarene Free (pdb code 5t8w). 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 - Calixarene Free, PDB code: 5t8w:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 5t8w

Go back to Iron Binding Sites List in 5t8w
Iron binding site 1 out of 2 in the Cytochrome C - Calixarene Free


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome C - Calixarene Free within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:11.3
occ:1.00
FE A:HEC201 0.0 11.3 1.0
NE2 A:HIS18 2.0 11.5 1.0
NC A:HEC201 2.0 10.3 1.0
NB A:HEC201 2.0 10.3 1.0
ND A:HEC201 2.0 11.7 1.0
NA A:HEC201 2.0 9.1 1.0
SD A:MET80 2.3 11.2 1.0
CE1 A:HIS18 2.9 9.4 1.0
C1B A:HEC201 3.0 10.0 1.0
C1C A:HEC201 3.0 12.6 1.0
CD2 A:HIS18 3.0 11.2 1.0
C4A A:HEC201 3.0 11.4 1.0
C4C A:HEC201 3.0 11.1 1.0
C1D A:HEC201 3.0 11.0 1.0
C4D A:HEC201 3.0 10.7 1.0
C1A A:HEC201 3.1 10.8 1.0
C4B A:HEC201 3.1 12.0 1.0
CE A:MET80 3.4 13.2 1.0
CHB A:HEC201 3.4 9.9 1.0
CG A:MET80 3.4 12.9 1.0
CHC A:HEC201 3.4 11.1 1.0
CHA A:HEC201 3.4 10.8 1.0
CHD A:HEC201 3.4 10.4 1.0
ND1 A:HIS18 4.1 9.3 1.0
CG A:HIS18 4.1 9.9 1.0
CB A:MET80 4.2 10.8 1.0
C2C A:HEC201 4.2 12.4 1.0
C2B A:HEC201 4.2 11.2 1.0
C3A A:HEC201 4.3 12.9 1.0
C3C A:HEC201 4.3 13.5 1.0
C3B A:HEC201 4.3 11.9 1.0
C2A A:HEC201 4.3 11.0 1.0
C3D A:HEC201 4.3 10.0 1.0
C2D A:HEC201 4.3 10.9 1.0
OH A:TYR67 4.8 14.3 1.0

Iron binding site 2 out of 2 in 5t8w

Go back to Iron Binding Sites List in 5t8w
Iron binding site 2 out of 2 in the Cytochrome C - Calixarene Free


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome C - Calixarene Free within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:13.0
occ:1.00
FE B:HEC201 0.0 13.0 1.0
NA B:HEC201 2.0 12.6 1.0
NE2 B:HIS18 2.0 12.8 1.0
NC B:HEC201 2.0 14.4 1.0
ND B:HEC201 2.0 13.4 1.0
NB B:HEC201 2.1 9.9 1.0
SD B:MET80 2.3 14.0 1.0
CE1 B:HIS18 3.0 13.7 1.0
CD2 B:HIS18 3.0 11.9 1.0
C1A B:HEC201 3.0 14.9 1.0
C4A B:HEC201 3.0 11.0 1.0
C4C B:HEC201 3.0 14.1 1.0
C4D B:HEC201 3.1 14.5 1.0
C1B B:HEC201 3.1 14.1 1.0
C1D B:HEC201 3.1 15.9 1.0
C1C B:HEC201 3.1 15.8 1.0
C4B B:HEC201 3.1 14.9 1.0
CE B:MET80 3.3 16.5 1.0
CHA B:HEC201 3.4 12.4 1.0
CHB B:HEC201 3.4 13.1 1.0
CHD B:HEC201 3.4 14.9 1.0
CG B:MET80 3.4 18.4 1.0
CHC B:HEC201 3.4 14.5 1.0
ND1 B:HIS18 4.1 12.8 1.0
CG B:HIS18 4.1 14.2 1.0
C2A B:HEC201 4.2 13.0 1.0
C3A B:HEC201 4.2 13.9 1.0
CB B:MET80 4.3 16.7 1.0
C2B B:HEC201 4.3 14.1 1.0
C2C B:HEC201 4.3 13.9 1.0
C3C B:HEC201 4.3 15.5 1.0
C3B B:HEC201 4.3 14.8 1.0
C2D B:HEC201 4.3 15.4 1.0
C3D B:HEC201 4.3 13.6 1.0
OH B:TYR67 4.8 19.4 1.0

Reference:

A.M.Doolan, M.L.Rennie, P.B.Crowley. Protein Recognition By Functionalized Sulfonatocalix[4]Arenes. Chemistry V. 24 984 2018.
ISSN: ISSN 1521-3765
PubMed: 29125201
DOI: 10.1002/CHEM.201704931
Page generated: Sun Dec 13 16:12:08 2020

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