Iodine in PDB 5eoj: Crystal Structure of An Antiparallel Hexamer Coiled-Coil - Acc-Hex- Phei

The structure of Crystal Structure of An Antiparallel Hexamer Coiled-Coil - Acc-Hex- Phei, PDB code: 5eoj 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)	38.61 / 2.12
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	40.850, 40.850, 118.150, 90.00, 90.00, 90.00
R / Rfree (%)	24.4 / 27.5

The binding sites of Iodine atom in the Crystal Structure of An Antiparallel Hexamer Coiled-Coil - Acc-Hex- Phei (pdb code 5eoj). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 5 binding sites of Iodine where determined in the Crystal Structure of An Antiparallel Hexamer Coiled-Coil - Acc-Hex- Phei, PDB code: 5eoj:
Jump to Iodine binding site number: 1; 2; 3; 4; 5;

Iodine binding site 1 out of 5 in the Crystal Structure of An Antiparallel Hexamer Coiled-Coil - Acc-Hex- Phei


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of An Antiparallel Hexamer Coiled-Coil - Acc-Hex- Phei within 5.0Å range: probe atom residue distance (Å) B Occ A:I22 b:0.2 occ:0.52 I A:PHI22 0.0 0.2 0.5 CZ A:PHI22 2.1 66.5 0.5 CE1 A:PHI22 3.1 83.4 0.5 HE1 A:PHI22 3.1 0.1 0.5 CE2 A:PHI22 3.1 69.1 0.5 HE2 A:PHI22 3.2 83.0 0.5 HB2 A:ALA26 4.3 87.7 1.0 CD1 A:PHI22 4.3 80.5 0.5 CD2 A:PHI22 4.4 83.5 0.5 HB1 A:ALA26 4.5 87.7 1.0 CB A:ALA26 4.8 73.1 1.0 CG A:PHI22 4.9 87.2 0.5

Iodine binding site 2 out of 5 in the Crystal Structure of An Antiparallel Hexamer Coiled-Coil - Acc-Hex- Phei


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of An Antiparallel Hexamer Coiled-Coil - Acc-Hex- Phei within 5.0Å range: probe atom residue distance (Å) B Occ A:I22 b:1.0 occ:0.48 I A:PHI22 0.0 1.0 0.5 CZ A:PHI22 2.1 67.5 0.5 CE1 A:PHI22 3.1 76.8 0.5 HE1 A:PHI22 3.1 92.2 0.5 CE2 A:PHI22 3.1 70.7 0.5 HE2 A:PHI22 3.2 84.9 0.5 HE2 A:LYS18 3.7 0.6 1.0 HE3 A:LYS18 4.2 0.6 1.0 CD1 A:PHI22 4.3 75.5 0.5 CE A:LYS18 4.4 0.5 1.0 CD2 A:PHI22 4.4 71.4 0.5 HZ1 A:LYS18 4.5 0.1 1.0 CG A:PHI22 4.9 76.4 0.5 NZ A:LYS18 4.9 0.7 1.0

Iodine binding site 3 out of 5 in the Crystal Structure of An Antiparallel Hexamer Coiled-Coil - Acc-Hex- Phei


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of An Antiparallel Hexamer Coiled-Coil - Acc-Hex- Phei within 5.0Å range: probe atom residue distance (Å) B Occ B:I22 b:0.4 occ:1.00 I B:PHI22 0.0 0.4 1.0 CZ B:PHI22 2.1 84.2 1.0 CE1 B:PHI22 3.1 52.9 1.0 HE1 B:PHI22 3.1 63.4 1.0 CE2 B:PHI22 3.1 63.8 1.0 HE2 B:PHI22 3.2 76.5 1.0 HE2 B:LYS18 3.6 78.8 1.0 HZ1 B:LYS18 4.3 77.8 1.0 CD1 B:PHI22 4.3 65.5 1.0 CD2 B:PHI22 4.4 50.1 1.0 HZ3 B:LYS18 4.5 77.8 1.0 CE B:LYS18 4.5 65.7 1.0 NZ B:LYS18 4.6 64.9 1.0 HZ2 C:LYS11 4.8 0.2 1.0 HZ1 B:LYS25 4.8 0.5 1.0 CG B:PHI22 4.9 57.1 1.0 HE3 B:LYS18 5.0 78.8 1.0

Iodine binding site 4 out of 5 in the Crystal Structure of An Antiparallel Hexamer Coiled-Coil - Acc-Hex- Phei


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of An Antiparallel Hexamer Coiled-Coil - Acc-Hex- Phei within 5.0Å range: probe atom residue distance (Å) B Occ C:I22 b:0.7 occ:0.62 I C:PHI22 0.0 0.7 0.6 CZ C:PHI22 2.1 0.6 0.6 HE1 C:PHI22 2.3 0.4 0.4 CE1 C:PHI22 3.1 0.1 0.6 HE1 C:PHI22 3.1 0.3 0.6 CE2 C:PHI22 3.1 95.3 0.6 HE2 C:PHI22 3.2 0.4 0.6 CE1 C:PHI22 3.2 96.2 0.4 I C:PHI22 3.4 0.3 0.4 CZ C:PHI22 3.8 98.5 0.4 CD1 C:PHI22 4.3 90.2 0.4 CD1 C:PHI22 4.3 90.5 0.6 CD2 C:PHI22 4.4 89.6 0.6 HD1 C:PHI22 4.4 0.3 0.4 CG C:PHI22 4.9 87.6 0.6

Iodine binding site 5 out of 5 in the Crystal Structure of An Antiparallel Hexamer Coiled-Coil - Acc-Hex- Phei


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of An Antiparallel Hexamer Coiled-Coil - Acc-Hex- Phei within 5.0Å range: probe atom residue distance (Å) B Occ C:I22 b:0.3 occ:0.38 I C:PHI22 0.0 0.3 0.4 CZ C:PHI22 2.1 98.5 0.4 CE1 C:PHI22 3.1 96.2 0.4 HE1 C:PHI22 3.1 0.4 0.4 CE2 C:PHI22 3.1 97.0 0.4 HE2 C:PHI22 3.2 0.4 0.4 CZ C:PHI22 3.3 0.6 0.6 I C:PHI22 3.4 0.7 0.6 CE2 C:PHI22 3.6 95.3 0.6 HE2 C:PHI22 3.6 0.4 0.6 CE1 C:PHI22 4.0 0.1 0.6 HE1 C:PHI22 4.3 0.3 0.6 CD1 C:PHI22 4.3 90.2 0.4 CD2 C:PHI22 4.4 89.6 0.6 CD2 C:PHI22 4.4 87.0 0.4 CD1 C:PHI22 4.7 90.5 0.6 CG C:PHI22 4.9 87.6 0.6 CG C:PHI22 4.9 80.4 0.4 HD2 C:PHI22 4.9 0.5 0.6

R.K.Spencer, A.I.Hochbaum. X-Ray Crystallographic Structure and Solution Behavior of An Antiparallel Coiled-Coil Hexamer Formed By De Novo Peptides. Biochemistry V. 55 3214 2016.
ISSN: ISSN 0006-2960
PubMed: 27192036
DOI: 10.1021/ACS.BIOCHEM.6B00201