Iodine in PDB 4dzm: A De Novo Designed Coiled Coil Cc-Di

The structure of A De Novo Designed Coiled Coil Cc-Di, PDB code: 4dzm was solved by M.Bruning, A.R.Thomson, N.R.Zaccai, R.L.Brady, D.N.Woolfson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.91 / 1.94
Space group	P 62
Cell size a, b, c (Å), α, β, γ (°)	23.509, 23.509, 189.598, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 24.4

The binding sites of Iodine atom in the A De Novo Designed Coiled Coil Cc-Di (pdb code 4dzm). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the A De Novo Designed Coiled Coil Cc-Di, PDB code: 4dzm:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the A De Novo Designed Coiled Coil Cc-Di


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of A De Novo Designed Coiled Coil Cc-Di within 5.0Å range: probe atom residue distance (Å) B Occ A:I22 b:24.2 occ:0.50 I A:PHI22 0.0 24.2 0.5 CZ A:PHI22 2.1 12.4 0.5 CE1 A:PHI22 3.0 6.1 0.5 CE2 A:PHI22 3.0 16.4 0.5 CD1 A:PHI22 4.3 19.3 0.5 CD2 A:PHI22 4.3 11.8 0.5 CE1 B:PHI22 4.3 21.9 0.5 CG B:GLN29 4.4 19.5 1.0 CA B:ALA26 4.8 6.6 1.0 CG A:PHI22 4.8 17.9 0.5 I B:PHI22 4.8 29.3 0.5

Iodine binding site 2 out of 4 in the A De Novo Designed Coiled Coil Cc-Di


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of A De Novo Designed Coiled Coil Cc-Di within 5.0Å range: probe atom residue distance (Å) B Occ A:I22 b:22.8 occ:0.50 I A:PHI22 0.0 22.8 0.5 CZ A:PHI22 2.1 26.1 0.5 CE1 A:PHI22 3.0 16.0 0.5 CE2 A:PHI22 3.1 28.7 0.5 CD1 A:PHI22 4.3 14.6 0.5 CD2 A:PHI22 4.4 25.5 0.5 CG A:PHI22 4.9 20.9 0.5

Iodine binding site 3 out of 4 in the A De Novo Designed Coiled Coil Cc-Di


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of A De Novo Designed Coiled Coil Cc-Di within 5.0Å range: probe atom residue distance (Å) B Occ B:I22 b:29.3 occ:0.50 I B:PHI22 0.0 29.3 0.5 CZ B:PHI22 2.1 15.7 0.5 O A:HOH117 2.5 10.5 1.0 CE2 B:PHI22 3.0 13.9 0.5 CE1 B:PHI22 3.0 21.9 0.5 CD2 B:PHI22 4.3 15.7 0.5 CD1 B:PHI22 4.3 12.3 0.5 CE2 A:PHI22 4.3 16.4 0.5 CG A:GLN29 4.4 27.1 1.0 CA A:ALA26 4.5 9.6 1.0 CB A:ALA26 4.7 12.0 1.0 CG B:PHI22 4.8 18.7 0.5 I A:PHI22 4.8 24.2 0.5 CB A:GLN29 4.8 16.4 1.0

Iodine binding site 4 out of 4 in the A De Novo Designed Coiled Coil Cc-Di


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of A De Novo Designed Coiled Coil Cc-Di within 5.0Å range: probe atom residue distance (Å) B Occ B:I22 b:22.1 occ:0.50 I B:PHI22 0.0 22.1 0.5 CZ B:PHI22 2.1 10.0 0.5 CE1 B:PHI22 3.0 12.3 0.5 CE2 B:PHI22 3.1 6.2 0.5 O A:HOH107 4.4 6.8 1.0 CD1 B:PHI22 4.4 15.1 0.5 CD2 B:PHI22 4.4 6.1 0.5 O A:HOH115 4.4 31.1 1.0 O B:HOH106 4.7 18.4 1.0 CG B:PHI22 4.9 8.6 0.5

J.M.Fletcher, A.L.Boyle, M.Bruning, G.J.Bartlett, T.L.Vincent, N.R.Zaccai, C.T.Armstrong, E.H.Bromley, P.J.Booth, R.L.Brady, A.R.Thomson, D.N.Woolfson. A Basis Set of De Novo Coiled-Coil Peptide Oligomers For Rational Protein Design and Synthetic Biology. Acs Synth Biol V. 1 240 2012.
ISSN: ESSN 2161-5063
PubMed: 23651206
DOI: 10.1021/SB300028Q