Iodine in PDB 3r4h: Crystal Structure of the 4-Helix Coiled Coil Cc-Tet-PHI22

The structure of Crystal Structure of the 4-Helix Coiled Coil Cc-Tet-PHI22, PDB code: 3r4h was solved by N.R.Zaccai, B.H.C.Chi, D.N.Woolfson, R.L.Brady, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.42 / 2.70
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	84.840, 84.840, 58.200, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 27

The binding sites of Iodine atom in the Crystal Structure of the 4-Helix Coiled Coil Cc-Tet-PHI22 (pdb code 3r4h). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the Crystal Structure of the 4-Helix Coiled Coil Cc-Tet-PHI22, PDB code: 3r4h:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in the Crystal Structure of the 4-Helix Coiled Coil Cc-Tet-PHI22


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 the 4-Helix Coiled Coil Cc-Tet-PHI22 within 5.0Å range: probe atom residue distance (Å) B Occ A:I22 b:0.1 occ:1.00 I A:PHI22 0.0 0.1 1.0 CZ A:PHI22 2.1 69.3 1.0 CE2 A:PHI22 3.1 65.1 1.0 CE1 A:PHI22 3.2 56.2 1.0 CD2 A:PHI22 4.4 53.0 1.0 CD1 A:PHI22 4.5 51.5 1.0 NZ A:LYS21 4.7 62.9 1.0 CB A:ALA18 4.8 56.4 1.0 CG A:PHI22 5.0 55.8 1.0

Iodine binding site 2 out of 6 in the Crystal Structure of the 4-Helix Coiled Coil Cc-Tet-PHI22


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 the 4-Helix Coiled Coil Cc-Tet-PHI22 within 5.0Å range: probe atom residue distance (Å) B Occ B:I22 b:92.7 occ:1.00 I B:PHI22 0.0 92.7 1.0 CZ B:PHI22 2.1 59.8 1.0 CE2 B:PHI22 3.1 53.0 1.0 CE1 B:PHI22 3.1 46.9 1.0 CB F:ALA25 3.7 41.3 1.0 CD1 F:PHI22 4.0 40.8 1.0 CE1 F:PHI22 4.1 49.2 1.0 CE F:LYS21 4.2 61.1 1.0 O F:LYS21 4.3 44.4 1.0 CG F:LYS21 4.4 48.4 1.0 CD2 B:PHI22 4.4 49.0 1.0 OE1 E:GLU23 4.4 45.3 1.0 CD1 B:PHI22 4.4 52.9 1.0 CD F:LYS21 4.6 62.7 1.0 CG F:PHI22 4.7 47.8 1.0 CA F:PHI22 4.7 46.3 1.0 C F:LYS21 4.7 46.7 1.0 CZ F:PHI22 4.9 66.5 1.0 N F:PHI22 4.9 47.4 1.0 CG B:PHI22 4.9 46.6 1.0 O E:HOH51 5.0 50.4 1.0

Iodine binding site 3 out of 6 in the Crystal Structure of the 4-Helix Coiled Coil Cc-Tet-PHI22


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 the 4-Helix Coiled Coil Cc-Tet-PHI22 within 5.0Å range: probe atom residue distance (Å) B Occ C:I22 b:0.8 occ:1.00 I C:PHI22 0.0 0.8 1.0 CZ C:PHI22 2.1 97.7 1.0 CE1 C:PHI22 3.1 79.8 1.0 CE2 C:PHI22 3.1 80.8 1.0 NZ C:LYS21 3.8 66.4 1.0 CD1 C:PHI22 4.4 70.3 1.0 CE C:LYS21 4.4 68.2 1.0 CD2 C:PHI22 4.4 71.3 1.0 CG C:PHI22 4.9 67.7 1.0

Iodine binding site 4 out of 6 in the Crystal Structure of the 4-Helix Coiled Coil Cc-Tet-PHI22


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 the 4-Helix Coiled Coil Cc-Tet-PHI22 within 5.0Å range: probe atom residue distance (Å) B Occ D:I22 b:84.8 occ:1.00 I D:PHI22 0.0 84.8 1.0 CZ D:PHI22 2.1 74.4 1.0 CE2 D:PHI22 3.1 58.9 1.0 CE1 D:PHI22 3.1 69.5 1.0 CD2 D:PHI22 4.4 54.9 1.0 CD1 D:PHI22 4.5 50.1 1.0

Iodine binding site 5 out of 6 in the Crystal Structure of the 4-Helix Coiled Coil Cc-Tet-PHI22


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 the 4-Helix Coiled Coil Cc-Tet-PHI22 within 5.0Å range: probe atom residue distance (Å) B Occ E:I22 b:80.6 occ:1.00 I E:PHI22 0.0 80.6 1.0 CZ E:PHI22 2.1 67.6 1.0 CE1 E:PHI22 3.1 56.6 1.0 CE2 E:PHI22 3.1 58.4 1.0 CD1 E:PHI22 4.4 53.1 1.0 CD2 E:PHI22 4.4 56.0 1.0 CG E:PHI22 4.9 49.4 1.0

Iodine binding site 6 out of 6 in the Crystal Structure of the 4-Helix Coiled Coil Cc-Tet-PHI22


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of the 4-Helix Coiled Coil Cc-Tet-PHI22 within 5.0Å range: probe atom residue distance (Å) B Occ F:I22 b:0.4 occ:1.00 I F:PHI22 0.0 0.4 1.0 CZ F:PHI22 2.1 66.5 1.0 O B:HOH45 2.8 36.2 1.0 CE1 F:PHI22 3.1 49.2 1.0 CE2 F:PHI22 3.1 50.9 1.0 O B:HOH41 3.4 34.7 1.0 O F:HOH35 3.6 62.8 1.0 CB B:ALA25 3.8 35.6 1.0 CD2 B:PHI22 3.8 49.0 1.0 CE2 B:PHI22 3.9 53.0 1.0 O F:HOH53 4.0 54.9 1.0 O E:HOH52 4.0 76.9 1.0 CD1 F:PHI22 4.5 40.8 1.0 CD2 F:PHI22 4.5 40.0 1.0 NZ F:LYS21 4.8 62.1 1.0 CG B:PHI22 4.9 46.6 1.0 CA B:PHI22 4.9 42.7 1.0 CZ B:PHI22 5.0 59.8 1.0

N.R.Zaccai, B.Chi, A.R.Thomson, A.L.Boyle, G.J.Bartlett, M.Bruning, N.Linden, R.B.Sessions, P.J.Booth, R.L.Brady, D.N.Woolfson. A De Novo Peptide Hexamer with A Mutable Channel. Nat.Chem.Biol. V. 7 935 2011.
ISSN: ISSN 1552-4450
PubMed: 22037471
DOI: 10.1038/NCHEMBIO.692