Zinc in PDB 3okk: Crystal Structure of S25-39 in Complex with Kdo(2.4)Kdo

The structure of Crystal Structure of S25-39 in Complex with Kdo(2.4)Kdo, PDB code: 3okk was solved by R.J.Blackler, S.V.Evans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.77 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.628, 81.441, 131.577, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 23.5

The binding sites of Zinc atom in the Crystal Structure of S25-39 in Complex with Kdo(2.4)Kdo (pdb code 3okk). 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 S25-39 in Complex with Kdo(2.4)Kdo, PDB code: 3okk:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of S25-39 in Complex with Kdo(2.4)Kdo


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 S25-39 in Complex with Kdo(2.4)Kdo within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn216 b:82.7 occ:1.00 NE2 B:HIS173 2.5 38.4 1.0 ND2 A:ASN138 2.6 44.6 1.0 CE1 B:HIS173 2.8 43.0 1.0 OD1 A:ASN138 2.9 40.0 1.0 CG A:ASN138 3.1 31.2 1.0 CD2 B:HIS173 3.7 39.6 1.0 ND1 B:HIS173 4.0 36.8 1.0 OD1 A:ASP167 4.2 47.3 1.0 OD2 A:ASP170 4.4 36.1 1.0 O A:HOH357 4.5 33.2 1.0 CG B:HIS173 4.5 37.2 1.0 CB A:ASN138 4.6 29.9 1.0 CA B:GLY171 4.7 36.5 1.0 CE A:LYS169 4.7 62.9 1.0 CG A:ASP167 5.0 39.8 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of S25-39 in Complex with Kdo(2.4)Kdo


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 S25-39 in Complex with Kdo(2.4)Kdo within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn223 b:34.4 occ:1.00 OE2 B:GLU61 2.1 30.9 1.0 O B:HOH328 2.3 40.7 1.0 CD B:GLU61 2.9 28.8 1.0 OE1 B:GLU61 3.0 26.6 1.0 O B:HOH387 3.7 38.8 1.0 NH1 B:ARG52 4.0 28.7 1.0 CG B:GLU61 4.4 22.7 1.0 NH2 B:ARG52 4.4 25.6 1.0 O B:THR60 4.4 29.9 1.0 O B:HOH256 4.5 38.1 1.0 CZ B:ARG52 4.7 25.8 1.0

R.J.Blackler, C.L.Brooks, D.W.Evans, L.Brade, P.Kosma, H.Brade, S.V.Evans. A Common NH53K Mutation in the Combining Site of Antibodies Raised Against Chlamydial Lps Glycoconjugates Significantly Increases Avidity. Biochemistry V. 50 3357 2011.
ISSN: ISSN 0006-2960
PubMed: 21405106
DOI: 10.1021/BI101886V