Iodine in PDB 5v64: Crystal Structure of Macrocycles Containing Abeta 15-21 (Qklv(Phi)Fa) and Abeta 30-36 (Aii(Sar)L(Orn)V)

The structure of Crystal Structure of Macrocycles Containing Abeta 15-21 (Qklv(Phi)Fa) and Abeta 30-36 (Aii(Sar)L(Orn)V), PDB code: 5v64 was solved by P.J.Salveson, R.K.Spencer, J.S.Nowick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.07 / 2.02
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	20.346, 22.029, 31.598, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 24.4

The structure of Crystal Structure of Macrocycles Containing Abeta 15-21 (Qklv(Phi)Fa) and Abeta 30-36 (Aii(Sar)L(Orn)V) also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Iodine atom in the Crystal Structure of Macrocycles Containing Abeta 15-21 (Qklv(Phi)Fa) and Abeta 30-36 (Aii(Sar)L(Orn)V) (pdb code 5v64). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of Macrocycles Containing Abeta 15-21 (Qklv(Phi)Fa) and Abeta 30-36 (Aii(Sar)L(Orn)V), PDB code: 5v64:

Iodine binding site 1 out of 1 in the Crystal Structure of Macrocycles Containing Abeta 15-21 (Qklv(Phi)Fa) and Abeta 30-36 (Aii(Sar)L(Orn)V)


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 Macrocycles Containing Abeta 15-21 (Qklv(Phi)Fa) and Abeta 30-36 (Aii(Sar)L(Orn)V) within 5.0Å range: probe atom residue distance (Å) B Occ A:I6 b:12.2 occ:1.00 I A:PHI6 0.0 12.2 1.0 CZ A:PHI6 2.1 12.3 1.0 CE1 A:PHI6 3.1 11.4 1.0 HE1 A:PHI6 3.1 13.7 1.0 CE2 A:PHI6 3.1 10.9 1.0 HE2 A:PHI6 3.2 13.1 1.0 HD13 A:ILE12 3.2 13.7 1.0 HG21 A:ILE12 3.4 13.5 1.0 CD1 A:ILE12 4.1 11.4 1.0 HD13 A:LEU14 4.1 15.6 1.0 HD22 A:LEU14 4.1 15.2 1.0 HD12 A:ILE12 4.1 13.7 1.0 CG2 A:ILE12 4.3 11.2 1.0 CD1 A:PHI6 4.4 11.1 1.0 CD2 A:PHI6 4.4 10.7 1.0 HB2 A:LEU14 4.6 14.5 1.0 HG22 A:ILE12 4.6 13.5 1.0 HB A:ILE12 4.6 12.9 1.0 HD11 A:ILE12 4.6 13.7 1.0 HG23 A:ILE12 4.9 13.5 1.0 CB A:ILE12 4.9 10.8 1.0 CG A:PHI6 4.9 10.7 1.0

P.J.Salveson, R.K.Spencer, A.G.Kreutzer, J.S.Nowick. X-Ray Crystallographic Structure of A Compact Dodecamer From A Peptide Derived From A Beta 16-36. Org. Lett. V. 19 3462 2017.
ISSN: ISSN 1523-7052
PubMed: 28683555
DOI: 10.1021/ACS.ORGLETT.7B01445