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Iron in PDB 3tyi: Crystal Structure of Cytochrome C - P-Sulfonatocalix[4]Arene Complexes

Protein crystallography data

The structure of Crystal Structure of Cytochrome C - P-Sulfonatocalix[4]Arene Complexes, PDB code: 3tyi was solved by R.E.Mc Govern, H.Fernandes, A.R.Khan, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.19 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.044, 55.317, 117.419, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 19.8

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Cytochrome C - P-Sulfonatocalix[4]Arene Complexes (pdb code 3tyi). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Cytochrome C - P-Sulfonatocalix[4]Arene Complexes, PDB code: 3tyi:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3tyi

Go back to Iron Binding Sites List in 3tyi
Iron binding site 1 out of 2 in the Crystal Structure of Cytochrome C - P-Sulfonatocalix[4]Arene Complexes


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Cytochrome C - P-Sulfonatocalix[4]Arene Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe104

b:8.4
occ:1.00
FE A:HEM104 0.0 8.4 1.0
NA A:HEM104 2.0 8.0 1.0
NE2 A:HIS18 2.0 7.7 1.0
NC A:HEM104 2.0 8.4 1.0
NB A:HEM104 2.0 7.7 1.0
ND A:HEM104 2.0 8.1 1.0
SD A:MET80 2.3 8.4 1.0
CE1 A:HIS18 3.0 8.5 1.0
CD2 A:HIS18 3.0 8.8 1.0
C1B A:HEM104 3.0 8.2 1.0
C4A A:HEM104 3.0 8.4 1.0
C1C A:HEM104 3.0 8.6 1.0
C1D A:HEM104 3.0 7.5 1.0
C4D A:HEM104 3.0 7.6 1.0
C4C A:HEM104 3.0 9.9 1.0
C4B A:HEM104 3.0 7.8 1.0
C1A A:HEM104 3.1 8.0 1.0
CE A:MET80 3.4 9.6 1.0
CHB A:HEM104 3.4 8.9 1.0
CHD A:HEM104 3.4 9.7 1.0
CG A:MET80 3.4 9.0 1.0
CHC A:HEM104 3.4 9.3 1.0
CHA A:HEM104 3.4 8.0 1.0
ND1 A:HIS18 4.1 8.6 1.0
CG A:HIS18 4.1 9.1 1.0
C2B A:HEM104 4.2 7.6 1.0
C3C A:HEM104 4.2 10.1 1.0
CB A:MET80 4.2 9.6 1.0
C3A A:HEM104 4.2 8.6 1.0
C2D A:HEM104 4.2 9.3 1.0
C2C A:HEM104 4.3 10.1 1.0
C3B A:HEM104 4.3 8.4 1.0
C3D A:HEM104 4.3 8.7 1.0
C2A A:HEM104 4.3 8.4 1.0
OH A:TYR67 4.8 11.2 1.0

Iron binding site 2 out of 2 in 3tyi

Go back to Iron Binding Sites List in 3tyi
Iron binding site 2 out of 2 in the Crystal Structure of Cytochrome C - P-Sulfonatocalix[4]Arene Complexes


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Cytochrome C - P-Sulfonatocalix[4]Arene Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe104

b:11.0
occ:1.00
FE B:HEM104 0.0 11.0 1.0
NB B:HEM104 2.0 12.5 1.0
NA B:HEM104 2.0 10.2 1.0
NE2 B:HIS18 2.0 10.6 1.0
NC B:HEM104 2.0 11.5 1.0
ND B:HEM104 2.1 11.5 1.0
SD B:MET80 2.3 10.9 1.0
CE1 B:HIS18 3.0 11.8 1.0
C1B B:HEM104 3.0 11.0 1.0
C4B B:HEM104 3.0 11.9 1.0
CD2 B:HIS18 3.0 10.2 1.0
C1C B:HEM104 3.0 11.5 1.0
C4C B:HEM104 3.0 12.3 1.0
C1A B:HEM104 3.0 9.8 1.0
C4A B:HEM104 3.0 10.2 1.0
C1D B:HEM104 3.1 12.4 1.0
C4D B:HEM104 3.1 11.0 1.0
CE B:MET80 3.4 12.6 1.0
CHC B:HEM104 3.4 12.1 1.0
CHD B:HEM104 3.4 13.3 1.0
CHB B:HEM104 3.4 11.1 1.0
CHA B:HEM104 3.4 11.7 1.0
CG B:MET80 3.4 12.8 1.0
ND1 B:HIS18 4.1 10.6 1.0
CG B:HIS18 4.1 12.0 1.0
C3B B:HEM104 4.2 11.5 1.0
C2B B:HEM104 4.2 10.1 1.0
C2C B:HEM104 4.2 10.9 1.0
C3C B:HEM104 4.2 13.0 1.0
CB B:MET80 4.2 13.9 1.0
C3A B:HEM104 4.2 8.9 1.0
C2A B:HEM104 4.2 10.9 1.0
C2D B:HEM104 4.3 13.0 1.0
C3D B:HEM104 4.3 12.8 1.0
OH B:TYR67 4.7 13.5 1.0

Reference:

R.E.Mcgovern, H.Fernandes, A.R.Khan, N.P.Power, P.B.Crowley. Protein Camouflage in Cytochrome C-Calixarene Complexes. Nat Chem V. 4 527 2012.
ISSN: ESSN 1755-4349
PubMed: 22717436
DOI: 10.1038/NCHEM.1342
Page generated: Sun Aug 4 20:37:29 2024

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