Zinc in PDB 2r1y: Crystal Structure of S25-2 Fab in Complex with Kdo Analogues

The structure of Crystal Structure of S25-2 Fab in Complex with Kdo Analogues, PDB code: 2r1y was solved by C.L.Brooks, S.V.Evans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.94 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.740, 81.420, 131.410, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 25.5

The structure of Crystal Structure of S25-2 Fab in Complex with Kdo Analogues also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of S25-2 Fab in Complex with Kdo Analogues (pdb code 2r1y). 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 Crystal Structure of S25-2 Fab in Complex with Kdo Analogues, PDB code: 2r1y:

Zinc binding site 1 out of 1 in the Crystal Structure of S25-2 Fab in Complex with Kdo Analogues


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of S25-2 Fab in Complex with Kdo Analogues within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn216 b:24.4 occ:1.00 NE2 A:HIS188 1.9 22.2 1.0 OE2 A:GLU184 2.0 25.1 1.0 O A:HOH256 2.3 23.2 1.0 CD A:GLU184 2.9 22.9 1.0 CE1 A:HIS188 2.9 22.6 1.0 CD2 A:HIS188 2.9 22.2 1.0 OE1 A:GLU184 3.1 25.3 1.0 O A:HOH305 3.9 35.3 1.0 ND1 A:HIS188 4.0 24.2 1.0 CG A:HIS188 4.1 22.9 1.0 CG A:GLU184 4.3 22.8 1.0 CB A:ARG187 4.5 21.4 1.0 CD A:ARG187 4.5 21.8 1.0 O A:GLU184 4.8 20.4 1.0

C.L.Brooks, S.Muller-Loennies, L.Brade, P.Kosma, T.Hirama, C.R.Mackenzie, H.Brade, S.V.Evans. Exploration of Specificity in Germline Monoclonal Antibody Recognition of A Range of Natural and Synthetic Epitopes. J.Mol.Biol. V. 377 450 2008.
ISSN: ISSN 0022-2836
PubMed: 18272175
DOI: 10.1016/J.JMB.2008.01.018