Zinc in PDB 3ssg: Structure of Transthyretin L55P in Complex with Zn

The structure of Structure of Transthyretin L55P in Complex with Zn, PDB code: 3ssg was solved by A.F.Castro-Rodrigues, L.Gales, A.M.Damas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.18 / 2.00
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	54.615, 54.615, 86.564, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 24.7

The structure of Structure of Transthyretin L55P in Complex with Zn also contains other interesting chemical elements:

Arsenic

(As)

1 atom

The binding sites of Zinc atom in the Structure of Transthyretin L55P in Complex with Zn (pdb code 3ssg). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Transthyretin L55P in Complex with Zn, PDB code: 3ssg:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of Transthyretin L55P in Complex with Zn


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Transthyretin L55P in Complex with Zn within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2001 b:25.7 occ:0.80 O2 A:CAC2003 2.0 28.1 0.8 NE2 A:HIS31 2.0 30.4 1.0 OD2 A:ASP74 2.0 28.4 1.0 CG A:ASP74 2.7 26.5 1.0 OD1 A:ASP74 2.8 25.6 1.0 CD2 A:HIS31 2.8 28.4 1.0 CE1 A:HIS31 3.1 31.4 1.0 AS A:CAC2003 3.5 66.4 0.8 O A:HOH143 3.9 43.9 1.0 CG A:HIS31 4.0 29.5 1.0 C2 A:CAC2003 4.1 69.8 0.8 ND1 A:HIS31 4.1 30.3 1.0 CB A:ASP74 4.2 24.7 1.0 C1 A:CAC2003 4.2 46.0 0.8 CB A:ALA29 4.3 25.9 1.0 O1 A:CAC2003 4.9 91.6 0.8

Zinc binding site 2 out of 2 in the Structure of Transthyretin L55P in Complex with Zn


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Transthyretin L55P in Complex with Zn within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2002 b:35.9 occ:0.50 O A:HOH213 2.1 43.5 1.0 NE2 A:HIS90 2.1 38.2 1.0 CE1 A:HIS90 2.8 39.1 1.0 O A:HOH218 2.9 47.1 1.0 CD2 A:HIS90 3.2 37.0 1.0 OE1 A:GLU92 3.8 42.6 1.0 ND1 A:HIS90 4.0 37.6 1.0 CD A:GLU92 4.2 38.0 1.0 CG A:HIS90 4.2 34.1 1.0 OE2 A:GLU72 4.4 41.1 1.0 CB A:GLU92 4.4 33.3 1.0 O A:HOH159 4.5 54.1 1.0 CG A:GLU92 4.6 35.4 1.0 OE2 A:GLU92 4.7 35.7 1.0

A.F.Castro-Rodrigues, L.Gales, M.J.Saraiva, A.M.Damas. Structural Insights Into A Zinc-Dependent Pathway Leading to LEU55PRO Transthyretin Amyloid Fibrils. Acta Crystallogr.,Sect.D V. 67 1035 2011.
ISSN: ISSN 0907-4449
PubMed: 22120741
DOI: 10.1107/S090744491104491X