Chlorine in PDB 4x1x: Crystal Structure of Rhdvb P Domain in Complex with Lewis Y

The structure of Crystal Structure of Rhdvb P Domain in Complex with Lewis Y, PDB code: 4x1x was solved by M.M.Leuthold, G.S.Hansman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.22 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.440, 84.150, 62.660, 90.00, 110.11, 90.00
R / Rfree (%)	15.5 / 18.5

The binding sites of Chlorine atom in the Crystal Structure of Rhdvb P Domain in Complex with Lewis Y (pdb code 4x1x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Rhdvb P Domain in Complex with Lewis Y, PDB code: 4x1x:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Rhdvb P Domain in Complex with Lewis Y


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Rhdvb P Domain in Complex with Lewis Y within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:14.9 occ:1.00 HD22 A:ASN362 2.5 15.6 1.0 HD22 A:ASN365 2.5 21.1 1.0 ND2 A:ASN362 3.3 13.0 1.0 HB3 A:ALA367 3.3 20.0 1.0 ND2 A:ASN365 3.4 17.6 1.0 HD21 A:ASN362 3.7 15.6 1.0 HB2 A:ASN362 3.8 15.6 1.0 HD21 A:ASN365 3.9 21.1 1.0 HB3 A:ASN362 4.1 15.6 1.0 CB A:ALA367 4.1 16.7 1.0 OD1 A:ASN365 4.1 15.9 1.0 HB1 A:ALA367 4.2 20.0 1.0 CG A:ASN365 4.2 13.9 1.0 CG A:ASN362 4.2 14.2 1.0 CB A:ASN362 4.3 13.0 1.0 HB2 A:ALA367 4.5 20.0 1.0 HE1 A:PHE369 4.7 17.7 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Rhdvb P Domain in Complex with Lewis Y


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Rhdvb P Domain in Complex with Lewis Y within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:39.8 occ:1.00 HE21 A:GLN398 2.5 33.0 1.0 HB2 A:SER319 2.8 25.3 0.6 HB3 A:SER319 2.9 26.8 0.4 HG2 A:GLN398 2.9 24.3 1.0 HE1 A:TYR317 3.2 28.2 1.0 NE2 A:GLN398 3.3 27.5 1.0 HD1 A:TYR317 3.4 21.4 1.0 O A:HOH934 3.5 39.5 1.0 HA A:SER319 3.6 22.0 0.6 HA A:SER319 3.6 22.0 0.4 CB A:SER319 3.7 21.1 0.6 CB A:SER319 3.7 22.4 0.4 N A:SER319 3.7 17.8 1.0 CG A:GLN398 3.8 20.3 1.0 H A:SER319 3.9 21.4 0.4 H A:SER319 3.9 21.4 0.6 HE22 A:GLN398 3.9 33.0 1.0 CA A:SER319 3.9 18.3 0.6 CA A:SER319 3.9 18.3 0.4 CE1 A:TYR317 3.9 23.5 1.0 CD1 A:TYR317 4.0 17.8 1.0 C A:ALA318 4.0 18.6 1.0 CD A:GLN398 4.1 23.4 1.0 HA A:ALA318 4.2 18.9 1.0 HG3 A:GLN398 4.3 24.3 1.0 HB2 A:SER319 4.3 26.8 0.4 HB3 A:SER319 4.3 25.3 0.6 O A:ALA318 4.4 18.2 1.0 OG A:SER319 4.6 27.5 0.6 HB3 A:GLN398 4.6 21.1 1.0 OG A:SER319 4.6 25.6 0.4 CA A:ALA318 4.6 15.7 1.0 O A:HOH865 4.7 27.1 1.0 CB A:GLN398 4.8 17.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Rhdvb P Domain in Complex with Lewis Y


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Rhdvb P Domain in Complex with Lewis Y within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl603 b:21.6 occ:1.00 H B:ASP334 2.3 11.6 1.0 HB2 B:ASN326 3.0 14.0 1.0 HA B:PRO333 3.0 14.4 1.0 O B:HOH925 3.1 22.5 1.0 N B:ASP334 3.1 9.7 1.0 O B:HOH850 3.2 10.8 1.0 HB2 B:ASP334 3.4 14.4 1.0 O B:HOH991 3.4 39.7 1.0 HB3 B:PRO333 3.5 15.1 1.0 HB3 B:ASP334 3.6 14.4 1.0 HA B:ASN326 3.6 17.4 1.0 CA B:PRO333 3.7 12.0 1.0 CB B:ASN326 3.7 11.7 1.0 CB B:ASP334 3.8 12.0 1.0 HD22 B:ASN326 3.9 12.7 1.0 C B:PRO333 3.9 12.2 1.0 CG B:ASN326 4.1 11.7 1.0 CA B:ASP334 4.1 11.1 1.0 ND2 B:ASN326 4.1 10.6 1.0 CB B:PRO333 4.1 12.6 1.0 CA B:ASN326 4.1 14.5 1.0 O B:ASP296 4.1 14.2 1.0 O B:HOH898 4.4 22.3 1.0 HB1 B:ALA323 4.4 17.8 1.0 N B:ASN326 4.4 14.7 1.0 HB3 B:ASN326 4.5 14.0 1.0 HB2 B:PRO333 4.6 15.1 1.0 HD21 B:ASN326 4.6 12.7 1.0 HB2 B:ASP325 4.7 31.4 1.0 H B:ASN326 4.7 17.7 1.0 C B:ASP325 4.7 18.8 1.0 H B:ASP296 4.7 12.7 1.0 HA B:ASP334 4.7 13.3 1.0 OD1 B:ASN326 4.8 16.4 1.0 O B:ASP325 4.8 21.5 1.0 O B:HOH934 4.9 25.9 1.0 O1 B:EDO602 4.9 26.9 1.0 O B:ASP334 4.9 12.5 1.0 N B:PRO333 5.0 9.9 1.0

M.M.Leuthold, K.P.Dalton, G.S.Hansman. Structural Analysis of A Rabbit Hemorrhagic Disease Virus Binding to Histo-Blood Group Antigens. J.Virol. V. 89 2378 2015.
ISSN: ESSN 1098-5514
PubMed: 25505081
DOI: 10.1128/JVI.02832-14