Zinc in PDB 2r2b: 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: 2r2b 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 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.890, 81.660, 131.550, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 25.3

The binding sites of Zinc atom in the Crystal Structure of S25-2 Fab in Complex with Kdo Analogues (pdb code 2r2b). 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: 2r2b:
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:Zn214 b:18.7 occ:1.00 OE2 A:GLU184 2.0 18.4 1.0 NE2 A:HIS188 2.1 20.0 1.0 CD A:GLU184 2.8 16.9 1.0 OE1 A:GLU184 3.0 20.0 1.0 CD2 A:HIS188 3.0 15.9 1.0 CE1 A:HIS188 3.1 16.1 1.0 O A:HOH312 4.0 26.3 1.0 ND1 A:HIS188 4.2 19.0 1.0 CG A:HIS188 4.2 16.9 1.0 CG A:GLU184 4.2 16.8 1.0 O A:HOH380 4.2 28.8 1.0 CB A:ARG187 4.4 15.8 1.0 CD A:ARG187 4.6 17.0 1.0 O A:GLU184 4.8 16.2 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:47.9 occ:1.00 O B:HOH279 2.7 20.6 1.0 OE2 B:GLU56 3.2 17.0 1.0 NH1 B:ARG52 3.5 14.0 1.0 CB B:THR54 3.6 16.1 1.0 OG1 B:THR54 3.8 17.0 1.0 CG2 B:THR54 3.9 15.3 1.0 O B:THR55 4.2 15.8 1.0 CD B:GLU56 4.3 16.4 1.0 O B:HOH270 4.4 23.7 1.0 CZ B:ARG52 4.6 12.9 1.0 O B:HOH265 4.7 21.8 1.0 OE1 B:GLU56 4.9 16.0 1.0 CA B:THR54 4.9 15.2 1.0 N B:THR55 4.9 15.5 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