Zinc in PDB 2r1w: 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: 2r1w 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)	20.00 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.680, 81.200, 131.950, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 24.6

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

Magnesium

(Mg)

3 atoms

The binding sites of Zinc atom in the Crystal Structure of S25-2 Fab in Complex with Kdo Analogues (pdb code 2r1w). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of S25-2 Fab in Complex with Kdo Analogues, PDB code: 2r1w:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 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:Zn215 b:39.6 occ:1.00 ND1 A:HIS188 2.0 23.2 1.0 OD2 A:ASP150 2.3 26.2 1.0 CE1 A:HIS188 2.7 21.9 1.0 CG A:HIS188 3.1 21.3 1.0 CG A:ASP150 3.4 27.2 1.0 O A:ARG187 3.6 22.2 1.0 CB A:HIS188 3.6 20.1 1.0 CB A:ASP150 3.7 28.7 1.0 CA A:HIS188 3.7 21.2 1.0 NE2 A:HIS188 3.9 19.7 1.0 CD2 A:HIS188 4.1 19.9 1.0 C A:ARG187 4.3 21.9 1.0 N A:HIS188 4.5 20.9 1.0 OD1 A:ASP150 4.5 27.1 1.0 C A:HIS188 4.9 21.2 1.0 N A:ASN189 4.9 21.3 1.0

Zinc binding site 2 out of 2 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 2 of Crystal Structure of S25-2 Fab in Complex with Kdo Analogues within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn217 b:24.7 occ:1.00 OE2 B:GLU56 2.0 20.4 1.0 CD B:GLU56 2.9 18.9 1.0 OE1 B:GLU56 3.1 20.6 1.0 O B:HOH228 3.8 34.1 1.0 NH1 B:ARG52 4.0 20.9 1.0 CG B:GLU56 4.3 19.8 1.0 NH2 B:ARG52 4.4 20.9 1.0 O B:THR55 4.4 20.8 1.0 CZ B:ARG52 4.7 19.0 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