Zinc in PDB 3sy0: S25-2- A(2-8)-A(2-4)Kdo Trisaccharide Complex

The structure of S25-2- A(2-8)-A(2-4)Kdo Trisaccharide Complex, PDB code: 3sy0 was solved by H.P.Nguyen, N.O.Seto, C.R.Mackenzie, L.Brade, P.Kosma, H.Brade, S.V.Evans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.77 / 1.49
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.600, 80.900, 130.600, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 21.2

The structure of S25-2- A(2-8)-A(2-4)Kdo Trisaccharide Complex also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Zinc atom in the S25-2- A(2-8)-A(2-4)Kdo Trisaccharide Complex (pdb code 3sy0). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the S25-2- A(2-8)-A(2-4)Kdo Trisaccharide Complex, PDB code: 3sy0:

Zinc binding site 1 out of 1 in the S25-2- A(2-8)-A(2-4)Kdo Trisaccharide Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of S25-2- A(2-8)-A(2-4)Kdo Trisaccharide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn218 b:18.6 occ:1.00 OE2 A:GLU184 1.9 17.8 1.0 NE2 A:HIS188 1.9 18.9 1.0 O A:HOH337 2.3 15.1 1.0 CD A:GLU184 2.8 19.1 1.0 CE1 A:HIS188 2.9 20.3 1.0 CD2 A:HIS188 2.9 19.0 1.0 OE1 A:GLU184 3.1 19.8 1.0 O A:HOH378 3.9 28.6 1.0 O A:HOH549 4.0 34.0 1.0 ND1 A:HIS188 4.0 22.0 1.0 CG A:HIS188 4.1 18.9 1.0 CG A:GLU184 4.2 17.4 1.0 CB A:ARG187 4.7 18.0 1.0 O A:GLU184 4.8 16.1 1.0 NE A:ARG187 4.8 30.4 1.0 O A:HOH539 4.9 28.5 1.0

H.P.Nguyen, N.O.Seto, C.R.Mackenzie, L.Brade, P.Kosma, H.Brade, S.V.Evans. Germline Antibody Recognition of Distinct Carbohydrate Epitopes Nat.Struct.Biol. V. 10 1019 2003.
ISSN: ISSN 1072-8368
PubMed: 14625588
DOI: 10.1038/NSB1014