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Iodine in PDB 5w0j: Antiparallel Coiled Coil Hexamer Formed By De Novo Peptides (Acc- HEX2).

Protein crystallography data

The structure of Antiparallel Coiled Coil Hexamer Formed By De Novo Peptides (Acc- HEX2)., PDB code: 5w0j 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) 40.89 / 2.20
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 52.560, 52.560, 93.040, 90.00, 90.00, 120.00
R / Rfree (%) 22 / 27.7

Other elements in 5w0j:

The structure of Antiparallel Coiled Coil Hexamer Formed By De Novo Peptides (Acc- HEX2). also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iodine Binding Sites:

The binding sites of Iodine atom in the Antiparallel Coiled Coil Hexamer Formed By De Novo Peptides (Acc- HEX2). (pdb code 5w0j). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Antiparallel Coiled Coil Hexamer Formed By De Novo Peptides (Acc- HEX2)., PDB code: 5w0j:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in 5w0j

Go back to Iodine Binding Sites List in 5w0j
Iodine binding site 1 out of 2 in the Antiparallel Coiled Coil Hexamer Formed By De Novo Peptides (Acc- HEX2).


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Antiparallel Coiled Coil Hexamer Formed By De Novo Peptides (Acc- HEX2). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I23

b:0.5
occ:1.00
I A:PHI23 0.0 0.5 1.0
CZ A:PHI23 2.0 85.2 1.0
CE2 A:PHI23 3.0 75.9 1.0
CE1 A:PHI23 3.0 74.6 1.0
HE2 A:PHI23 3.1 91.2 1.0
HE1 A:PHI23 3.1 89.5 1.0
CD2 A:PHI23 4.3 66.0 1.0
CD1 A:PHI23 4.3 64.5 1.0
CG A:PHI23 4.8 56.1 1.0

Iodine binding site 2 out of 2 in 5w0j

Go back to Iodine Binding Sites List in 5w0j
Iodine binding site 2 out of 2 in the Antiparallel Coiled Coil Hexamer Formed By De Novo Peptides (Acc- HEX2).


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Antiparallel Coiled Coil Hexamer Formed By De Novo Peptides (Acc- HEX2). within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I23

b:84.3
occ:1.00
I B:PHI23 0.0 84.3 1.0
CZ B:PHI23 2.0 79.5 1.0
HD2 B:LYS19 3.0 56.3 1.0
CE1 B:PHI23 3.0 76.9 1.0
CE2 B:PHI23 3.0 75.1 1.0
HE1 B:PHI23 3.1 92.3 1.0
HE2 B:PHI23 3.1 90.2 1.0
HA A:GLU9 3.4 51.2 1.0
HB2 A:LYS12 3.5 58.4 1.0
HB3 B:LYS19 3.7 43.5 1.0
CD B:LYS19 3.8 46.9 1.0
HG2 A:GLU9 3.9 86.4 1.0
HG2 A:LYS12 3.9 68.8 1.0
HE3 B:LYS19 3.9 66.0 1.0
HZ2 B:LYS19 3.9 70.0 1.0
HB3 A:LYS12 3.9 58.4 1.0
HB3 A:LYS8 4.0 59.8 1.0
HG3 B:LYS19 4.0 49.7 1.0
CB A:LYS12 4.1 48.7 1.0
O A:LYS8 4.1 44.9 1.0
CA A:GLU9 4.2 42.7 1.0
CE B:LYS19 4.3 55.0 1.0
C A:LYS8 4.3 45.4 1.0
CD1 B:PHI23 4.3 73.3 1.0
N A:GLU9 4.3 41.5 1.0
CD2 B:PHI23 4.3 71.8 1.0
CG B:LYS19 4.3 41.4 1.0
HG3 A:GLU9 4.3 86.4 1.0
O B:HOH206 4.4 56.0 1.0
CB B:LYS19 4.5 36.3 1.0
CG A:LYS12 4.5 57.3 1.0
CG A:GLU9 4.5 72.0 1.0
NZ B:LYS19 4.5 58.3 1.0
HD3 B:LYS19 4.6 56.3 1.0
HD3 A:LYS12 4.7 75.5 1.0
H A:GLU9 4.7 49.8 1.0
HB2 A:LYS8 4.7 59.8 1.0
CB A:LYS8 4.7 49.8 1.0
CG B:PHI23 4.9 71.4 1.0
CB A:GLU9 4.9 55.8 1.0
HB2 B:LYS19 5.0 43.5 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 19:41:41 2020

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