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Iron in PDB 4e1h: Fragment of Human Prion Protein

Protein crystallography data

The structure of Fragment of Human Prion Protein, PDB code: 4e1h was solved by M.I.Apostol, K.Perry, W.K.Surewicz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.55 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 32.317, 42.898, 46.353, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 21.8

Iron Binding Sites:

The binding sites of Iron atom in the Fragment of Human Prion Protein (pdb code 4e1h). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Fragment of Human Prion Protein, PDB code: 4e1h:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in 4e1h

Go back to Iron Binding Sites List in 4e1h
Iron binding site 1 out of 3 in the Fragment of Human Prion Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Fragment of Human Prion Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Fe201

b:19.4
occ:1.00
O7 G:CIT202 2.0 16.1 1.0
O6 I:CIT203 2.0 20.0 1.0
O7 G:CIT203 2.0 19.9 1.0
O4 G:CIT202 2.0 21.7 1.0
O4 G:CIT203 2.1 22.0 1.0
O6 G:CIT203 2.2 24.6 1.0
C3 G:CIT203 2.9 21.3 1.0
C6 G:CIT203 2.9 26.0 1.0
C5 G:CIT202 3.0 24.0 1.0
O7 I:CIT203 3.0 18.9 1.0
C6 I:CIT203 3.0 18.4 1.0
C5 G:CIT203 3.0 26.0 1.0
C3 G:CIT202 3.1 18.2 1.0
C4 G:CIT202 3.4 18.5 1.0
FE I:FE202 3.4 18.7 1.0
FE I:FE201 3.4 19.0 1.0
C4 G:CIT203 3.5 24.0 1.0
C2 G:CIT202 3.6 20.7 1.0
C3 I:CIT203 3.6 18.1 1.0
O2 G:CIT202 3.8 30.7 1.0
O7 I:CIT204 3.9 18.7 1.0
O2 I:CIT203 4.0 20.9 1.0
O5 I:CIT203 4.1 23.1 1.0
O5 G:CIT203 4.1 31.3 1.0
O3 I:CIT203 4.1 21.4 1.0
O3 G:CIT203 4.1 33.9 1.0
C2 G:CIT203 4.1 23.5 1.0
O3 G:CIT202 4.2 29.0 1.0
C1 G:CIT202 4.2 25.2 1.0
C6 G:CIT202 4.3 21.5 1.0
C5 I:CIT203 4.4 19.8 1.0
O6 G:CIT202 4.6 21.3 1.0
C1 I:CIT203 4.6 19.6 1.0
O1 G:CIT203 4.6 21.5 1.0
C4 I:CIT203 4.6 19.6 1.0
CB G:HIS177 4.7 34.4 1.0
C2 I:CIT203 4.7 19.7 1.0
CD2 G:HIS177 4.8 37.6 1.0
CG G:HIS177 4.9 34.7 1.0
C1 G:CIT203 4.9 22.7 1.0

Iron binding site 2 out of 3 in 4e1h

Go back to Iron Binding Sites List in 4e1h
Iron binding site 2 out of 3 in the Fragment of Human Prion Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Fragment of Human Prion Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Fe201

b:19.0
occ:1.00
O1 G:CIT203 2.0 21.5 1.0
O2 I:CIT203 2.0 20.9 1.0
O7 G:CIT203 2.0 19.9 1.0
O7 I:CIT203 2.0 18.9 1.0
O7 I:CIT204 2.0 18.7 1.0
O2 I:CIT204 2.1 23.7 1.0
C1 I:CIT204 2.9 23.1 1.0
C1 I:CIT203 2.9 19.6 1.0
C1 G:CIT203 3.0 22.7 1.0
C3 I:CIT203 3.1 18.1 1.0
FE I:FE202 3.1 18.7 1.0
C3 I:CIT204 3.1 22.4 1.0
C3 G:CIT203 3.2 21.3 1.0
C2 I:CIT204 3.2 21.8 1.0
C2 I:CIT203 3.3 19.7 1.0
C2 G:CIT203 3.4 23.5 1.0
FE G:FE201 3.4 19.4 1.0
O7 G:CIT202 3.7 16.1 1.0
C4 G:CIT203 3.7 24.0 1.0
C6 I:CIT203 3.8 18.4 1.0
C6 I:CIT204 3.8 22.2 1.0
O6 I:CIT203 3.9 20.0 1.0
O6 I:CIT204 4.0 23.9 1.0
O1 I:CIT204 4.0 25.8 1.0
O3 I:CIT204 4.1 29.3 1.0
O1 I:CIT203 4.1 23.6 1.0
O2 G:CIT203 4.2 26.9 1.0
O4 G:CIT203 4.2 22.0 1.0
C5 G:CIT203 4.2 26.0 1.0
C4 I:CIT203 4.3 19.6 1.0
C4 I:CIT204 4.4 25.8 1.0
O2 G:CIT202 4.4 30.7 1.0
C6 G:CIT203 4.4 26.0 1.0
C5 I:CIT204 4.6 28.6 1.0
O3 I:CIT203 4.6 21.4 1.0
O6 G:CIT203 4.7 24.6 1.0
O5 I:CIT204 4.8 27.9 1.0
O5 I:CIT203 4.8 23.1 1.0
O6 G:CIT202 4.9 21.3 1.0
C5 I:CIT203 5.0 19.8 1.0

Iron binding site 3 out of 3 in 4e1h

Go back to Iron Binding Sites List in 4e1h
Iron binding site 3 out of 3 in the Fragment of Human Prion Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Fragment of Human Prion Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Fe202

b:18.7
occ:1.00
O7 I:CIT203 1.9 18.9 1.0
O3 I:CIT203 2.0 21.4 1.0
O7 G:CIT202 2.0 16.1 1.0
O6 G:CIT202 2.0 21.3 1.0
O6 I:CIT204 2.1 23.9 1.0
O7 I:CIT204 2.1 18.7 1.0
C6 G:CIT202 2.8 21.5 1.0
C6 I:CIT204 2.8 22.2 1.0
C5 I:CIT203 2.9 19.8 1.0
C3 G:CIT202 2.9 18.2 1.0
C3 I:CIT204 2.9 22.4 1.0
C3 I:CIT203 3.0 18.1 1.0
FE I:FE201 3.1 19.0 1.0
C4 I:CIT203 3.3 19.6 1.0
FE G:FE201 3.4 19.4 1.0
O7 G:CIT203 3.6 19.9 1.0
O6 I:CIT203 3.6 20.0 1.0
C4 I:CIT204 3.7 25.8 1.0
O2 G:CIT202 3.8 30.7 1.0
C4 G:CIT202 3.8 18.5 1.0
C6 I:CIT203 3.8 18.4 1.0
O5 G:CIT202 3.9 24.0 1.0
O2 I:CIT204 4.0 23.7 1.0
O5 I:CIT204 4.0 27.9 1.0
O4 I:CIT203 4.1 21.7 1.0
C1 G:CIT202 4.1 25.2 1.0
C2 G:CIT202 4.1 20.7 1.0
C2 I:CIT204 4.2 21.8 1.0
C2 I:CIT203 4.2 19.7 1.0
C1 I:CIT204 4.5 23.1 1.0
O4 G:CIT202 4.5 21.7 1.0
C5 I:CIT204 4.6 28.6 1.0
O2 I:CIT203 4.6 20.9 1.0
C5 G:CIT202 4.7 24.0 1.0
O1 G:CIT203 4.8 21.5 1.0
O3 I:CIT204 4.8 29.3 1.0
O6 G:CIT203 4.9 24.6 1.0
C3 G:CIT203 4.9 21.3 1.0
C1 I:CIT203 4.9 19.6 1.0
O1 G:CIT202 4.9 29.0 1.0

Reference:

M.I.Apostol, K.Perry, W.K.Surewicz. Crystal Structure of A Human Prion Protein Fragment Reveals A Motif For Oligomer Formation. J.Am.Chem.Soc. V. 135 10202 2013.
ISSN: ISSN 0002-7863
PubMed: 23808589
DOI: 10.1021/JA403001Q
Page generated: Mon Aug 5 01:29:52 2024

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