Iodine in PDB 3ra3: Crystal Structure of A Section of A De Novo Design Gigadalton Protein Fibre

The structure of Crystal Structure of A Section of A De Novo Design Gigadalton Protein Fibre, PDB code: 3ra3 was solved by N.R.Zaccai, T.H.Sharp, M.Bruning, 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)	22.54 / 2.31
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	45.082, 45.082, 67.593, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 24.8

The structure of Crystal Structure of A Section of A De Novo Design Gigadalton Protein Fibre also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iodine atom in the Crystal Structure of A Section of A De Novo Design Gigadalton Protein Fibre (pdb code 3ra3). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystal Structure of A Section of A De Novo Design Gigadalton Protein Fibre, PDB code: 3ra3:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Crystal Structure of A Section of A De Novo Design Gigadalton Protein Fibre


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 A Section of A De Novo Design Gigadalton Protein Fibre within 5.0Å range: probe atom residue distance (Å) B Occ A:I7 b:57.4 occ:1.00 I A:PHI7 0.0 57.4 1.0 CZ A:PHI7 2.2 41.8 1.0 CE1 A:PHI7 3.1 39.9 1.0 CE2 A:PHI7 3.2 40.2 1.0 CD1 A:ILE2 3.9 34.8 1.0 CD1 A:PHI7 4.4 36.6 1.0 CD2 A:PHI7 4.5 36.5 1.0 CG2 A:ILE2 4.9 39.8 1.0 CB A:ILE2 4.9 40.4 1.0 CG A:PHI7 5.0 37.7 1.0

Iodine binding site 2 out of 2 in the Crystal Structure of A Section of A De Novo Design Gigadalton Protein Fibre


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 A Section of A De Novo Design Gigadalton Protein Fibre within 5.0Å range: probe atom residue distance (Å) B Occ E:I7 b:37.6 occ:1.00 I E:PHI7 0.0 37.6 1.0 CZ E:PHI7 2.1 39.9 1.0 CE1 E:PHI7 3.1 37.3 1.0 CE2 E:PHI7 3.1 38.1 1.0 CD1 E:ILE2 4.2 53.3 1.0 CD1 E:PHI7 4.4 39.2 1.0 CD2 E:PHI7 4.5 41.4 1.0 CG E:PHI7 5.0 38.5 1.0

T.H.Sharp, M.Bruning, J.Mantell, R.B.Sessions, A.R.Thomson, N.R.Zaccai, R.L.Brady, P.Verkade, D.N.Woolfson. Cryo-Transmission Electron Microscopy Structure of A Gigadalton Peptide Fiber of De Novo Design Proc.Natl.Acad.Sci.Usa V. 109 13266 2012.
ISSN: ISSN 0027-8424
PubMed: 22847414
DOI: 10.1073/PNAS.1118622109