Zinc in PDB 4hgw: Crystal Structure of S25-2 in Complex with A 5,6-Dehydro-Kdo Disaccharide

The structure of Crystal Structure of S25-2 in Complex with A 5,6-Dehydro-Kdo Disaccharide, PDB code: 4hgw 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)	19.92 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.710, 81.300, 131.420, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 19.8

The binding sites of Zinc atom in the Crystal Structure of S25-2 in Complex with A 5,6-Dehydro-Kdo Disaccharide (pdb code 4hgw). 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 in Complex with A 5,6-Dehydro-Kdo Disaccharide, PDB code: 4hgw:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of S25-2 in Complex with A 5,6-Dehydro-Kdo Disaccharide


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 in Complex with A 5,6-Dehydro-Kdo Disaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:23.0 occ:1.00 NE2 A:HIS188 1.9 20.4 1.0 OE2 A:GLU184 1.9 24.0 1.0 O A:HOH408 2.2 21.3 1.0 CD A:GLU184 2.8 22.8 1.0 CE1 A:HIS188 2.9 24.3 1.0 CD2 A:HIS188 2.9 21.9 1.0 HE1 A:HIS188 3.0 29.2 1.0 OE1 A:GLU184 3.1 22.2 1.0 HD2 A:HIS188 3.2 26.3 1.0 HB2 A:ARG187 3.9 27.2 1.0 ND1 A:HIS188 4.0 24.1 1.0 HD2 A:ARG187 4.0 27.5 1.0 CG A:HIS188 4.1 21.9 1.0 O A:HOH535 4.1 30.0 1.0 O A:HOH600 4.1 34.4 1.0 CG A:GLU184 4.2 22.4 1.0 HB3 A:ARG187 4.2 27.2 1.0 HG3 A:GLU184 4.4 26.9 1.0 HD3 A:ARG187 4.4 27.5 1.0 CB A:ARG187 4.5 22.7 1.0 HG2 A:GLU184 4.6 26.9 1.0 CD A:ARG187 4.7 22.9 1.0 HH21 A:ARG187 4.7 24.0 1.0 HD1 A:HIS188 4.8 28.9 1.0 O A:GLU184 4.8 20.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of S25-2 in Complex with A 5,6-Dehydro-Kdo Disaccharide


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 in Complex with A 5,6-Dehydro-Kdo Disaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:83.3 occ:1.00 HE2 B:HIS163 1.7 56.9 1.0 HE1 B:HIS163 1.9 44.5 1.0 O B:HOH599 2.0 55.8 1.0 OD1 A:ASN137 2.1 49.5 1.0 NE2 B:HIS163 2.1 47.4 1.0 CE1 B:HIS163 2.3 37.1 1.0 O B:HOH672 2.6 48.5 1.0 CG A:ASN137 2.7 26.8 1.0 O A:HOH524 2.7 39.5 1.0 ND2 A:ASN137 2.7 41.5 1.0 HD21 A:ASN137 2.9 49.8 1.0 CD2 B:HIS163 3.5 40.9 1.0 ND1 B:HIS163 3.6 46.3 1.0 O B:HOH678 3.7 48.6 1.0 HD2 B:HIS163 4.1 49.1 1.0 HD1 B:HIS163 4.1 55.6 1.0 CG B:HIS163 4.2 38.4 1.0 HG A:SER173 4.2 30.7 1.0 OD1 A:ASP169 4.2 34.7 1.0 CB A:ASN137 4.2 24.7 1.0 HB3 A:ASN137 4.5 29.6 1.0 HA2 B:GLY161 4.5 42.4 1.0 HG1 A:THR171 4.6 30.3 1.0 OD1 A:ASP166 4.7 45.4 1.0 HB2 A:ASN137 4.7 29.6 1.0 OG1 A:THR171 4.7 25.2 1.0 HA A:ASN137 4.7 30.1 1.0 OG A:SER173 4.7 25.6 1.0 HB2 A:ASP166 4.8 35.5 1.0 HB3 A:ASN136 4.8 36.1 1.0 H A:ASN137 4.9 28.2 1.0 CG A:ASP166 5.0 34.2 1.0 CA A:ASN137 5.0 25.1 1.0

C.L.Brooks, K.Wimmer, P.Kosma, S.Muller-Loennies, L.Brade, H.Brade, S.V.Evans. Exploring the Cross-Reactivity of S25-2: Complex with A 5,6-Dehydro-Kdo Disaccharide. Acta Crystallogr.,Sect.F V. 69 2 2013.
ISSN: ESSN 1744-3091
PubMed: 23295476
DOI: 10.1107/S1744309112047422