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Iodine in PDB 5vte: Hetero Antiparallel Coiled Coil Hexamer Formed By De Novo Peptides

Protein crystallography data

The structure of Hetero Antiparallel Coiled Coil Hexamer Formed By De Novo Peptides, PDB code: 5vte was solved by R.K.Spencer, A.I.Hochbaum, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.27 / 2.02
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 48.970, 48.970, 141.821, 90.00, 90.00, 120.00
R / Rfree (%) 20.7 / 23.7

Iodine Binding Sites:

The binding sites of Iodine atom in the Hetero Antiparallel Coiled Coil Hexamer Formed By De Novo Peptides (pdb code 5vte). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Hetero Antiparallel Coiled Coil Hexamer Formed By De Novo Peptides, PDB code: 5vte:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in 5vte

Go back to Iodine Binding Sites List in 5vte
Iodine binding site 1 out of 2 in the Hetero Antiparallel Coiled Coil Hexamer Formed By De Novo Peptides


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Hetero Antiparallel Coiled Coil Hexamer Formed By De Novo Peptides within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I22

b:28.4
occ:1.00
I A:PHI22 0.0 28.4 1.0
CZ A:PHI22 2.0 28.1 1.0
CE2 A:PHI22 3.0 22.2 1.0
CE1 A:PHI22 3.0 22.6 1.0
HE2 A:PHI22 3.1 26.7 1.0
HE1 A:PHI22 3.1 27.1 1.0
HB3 A:GLU18 3.6 35.5 1.0
HG2 A:GLU18 4.1 21.7 1.0
O A:HOH109 4.3 31.8 1.0
HE3 B:LYS11 4.3 30.5 1.0
CD2 A:PHI22 4.3 27.5 1.0
CD1 A:PHI22 4.3 26.1 1.0
HG2 B:LYS11 4.4 22.5 1.0
CB A:GLU18 4.4 29.6 1.0
HE2 B:LYS11 4.5 30.5 1.0
CG A:GLU18 4.5 18.1 1.0
CD A:GLU18 4.5 33.7 1.0
OE1 A:GLU18 4.6 41.9 1.0
CG A:PHI22 4.8 19.7 1.0
CE B:LYS11 4.9 25.4 1.0
OE2 A:GLU18 5.0 23.2 1.0

Iodine binding site 2 out of 2 in 5vte

Go back to Iodine Binding Sites List in 5vte
Iodine binding site 2 out of 2 in the Hetero Antiparallel Coiled Coil Hexamer Formed By De Novo Peptides


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Hetero Antiparallel Coiled Coil Hexamer Formed By De Novo Peptides within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I22

b:45.5
occ:1.00
I B:PHI22 0.0 45.5 1.0
CZ B:PHI22 2.0 34.4 1.0
CE2 B:PHI22 3.0 40.6 1.0
CE1 B:PHI22 3.0 39.1 1.0
HE2 B:PHI22 3.1 48.8 1.0
HE1 B:PHI22 3.1 47.0 1.0
O B:HOH115 3.9 39.8 1.0
CD2 B:PHI22 4.3 31.2 1.0
CD1 B:PHI22 4.3 30.9 1.0
HB2 B:ALA26 4.6 41.6 1.0
CG B:PHI22 4.8 29.9 1.0

Reference:

R.K.Spencer, A.I.Hochbaum. The Phe-Ile Zipper: A Specific Interaction Motif Drives Antiparallel Coiled-Coil Hexamer Formation. Biochemistry V. 56 5300 2017.
ISSN: ISSN 1520-4995
PubMed: 28876052
DOI: 10.1021/ACS.BIOCHEM.7B00756
Page generated: Sun Dec 13 19:41:39 2020

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