Iodine in PDB 1wy4: Chicken Villin Subdomain Hp-35, K65(Nle), N68H, PH5.1

The structure of Chicken Villin Subdomain Hp-35, K65(Nle), N68H, PH5.1, PDB code: 1wy4 was solved by T.K.Chiu, J.Kubelka, R.Herbst-Irmer, W.A.Eaton, J.Hofrichter, D.R.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.55
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	19.720, 40.225, 75.379, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 21.3

The structure of Chicken Villin Subdomain Hp-35, K65(Nle), N68H, PH5.1 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iodine atom in the Chicken Villin Subdomain Hp-35, K65(Nle), N68H, PH5.1 (pdb code 1wy4). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Chicken Villin Subdomain Hp-35, K65(Nle), N68H, PH5.1, PDB code: 1wy4:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Chicken Villin Subdomain Hp-35, K65(Nle), N68H, PH5.1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Chicken Villin Subdomain Hp-35, K65(Nle), N68H, PH5.1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I98 b:11.3 occ:0.50 NZ A:LYS48 2.8 39.9 1.0 N A:ARG55 3.6 6.5 1.0 CG A:ASP44 3.8 12.4 1.0 CB A:ASP44 3.8 16.1 1.0 CE A:LYS48 3.9 27.2 1.0 OD2 A:ASP44 3.9 19.1 1.0 CA A:THR54 4.0 8.8 1.0 CB A:THR54 4.0 6.1 1.0 CG A:ARG55 4.1 20.9 1.0 CD A:LYS48 4.2 13.6 1.0 O A:HOH1017 4.2 22.0 1.0 CG A:LYS48 4.3 12.1 1.0 CD A:ARG55 4.3 14.7 1.0 OD1 A:ASP44 4.3 15.2 1.0 C A:THR54 4.3 6.3 1.0 O A:ASP44 4.3 10.1 1.0 CB A:ARG55 4.3 9.1 1.0 NE A:ARG55 4.4 20.8 1.0 CA A:ASP44 4.5 11.2 1.0 CG2 A:THR54 4.5 11.4 1.0 CA A:ARG55 4.6 9.4 1.0 C A:ASP44 4.8 10.3 1.0

Iodine binding site 2 out of 2 in the Chicken Villin Subdomain Hp-35, K65(Nle), N68H, PH5.1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Chicken Villin Subdomain Hp-35, K65(Nle), N68H, PH5.1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I99 b:12.6 occ:0.50 NA A:NA100 2.2 24.3 0.5 CB A:ALA49 4.1 10.0 1.0 CA A:ALA49 4.4 11.7 1.0 O A:HOH1036 4.6 33.6 1.0 O A:HOH1011 4.6 12.3 1.0 O A:HOH1030 4.8 25.6 1.0

T.K.Chiu, J.Kubelka, R.Herbst-Irmer, W.A.Eaton, J.Hofrichter, D.R.Davies. High-Resolution X-Ray Crystal Structures of the Villin Headpiece Subdomain, An Ultrafast Folding Protein. Proc.Natl.Acad.Sci.Usa V. 102 7517 2005.
ISSN: ISSN 0027-8424
PubMed: 15894611
DOI: 10.1073/PNAS.0502495102