Chlorine in PDB 5cb7: Crystallographic Structure of Human Rotavirus K8 VP8* in Complex with A-Type Hbga

The structure of Crystallographic Structure of Human Rotavirus K8 VP8* in Complex with A-Type Hbga, PDB code: 5cb7 was solved by X.Yu, H.Blanchard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.63 / 1.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.270, 83.190, 47.750, 90.00, 94.03, 90.00
R / Rfree (%)	17 / 19.2

The binding sites of Chlorine atom in the Crystallographic Structure of Human Rotavirus K8 VP8* in Complex with A-Type Hbga (pdb code 5cb7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystallographic Structure of Human Rotavirus K8 VP8* in Complex with A-Type Hbga, PDB code: 5cb7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystallographic Structure of Human Rotavirus K8 VP8* in Complex with A-Type Hbga


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystallographic Structure of Human Rotavirus K8 VP8* in Complex with A-Type Hbga within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl309 b:11.2 occ:1.00 OG1 B:THR181 3.0 7.1 1.0 O B:HOH652 3.2 14.3 1.0 O B:HOH525 3.2 12.2 1.0 CB B:THR181 3.5 7.2 1.0 O B:HOH692 3.6 28.0 1.0 NE2 B:HIS162 3.6 6.8 1.0 C B:THR181 3.7 8.2 1.0 N B:PRO182 3.8 9.2 1.0 O B:THR181 3.8 8.6 1.0 CD B:PRO161 3.9 6.1 1.0 O B:ASN221 3.9 6.4 1.0 CG B:PRO161 3.9 6.2 1.0 CD B:PRO182 4.0 9.7 1.0 CB B:PRO182 4.1 10.0 1.0 CE1 B:HIS162 4.2 6.7 1.0 CA B:PRO182 4.2 9.9 1.0 CA B:THR181 4.3 7.5 1.0 CG B:PRO182 4.4 9.9 1.0 O B:HOH658 4.5 9.4 1.0 CD2 B:HIS162 4.5 6.6 1.0 CG2 B:THR181 4.8 7.3 1.0 O B:HOH453 4.8 13.4 1.0

Chlorine binding site 2 out of 2 in the Crystallographic Structure of Human Rotavirus K8 VP8* in Complex with A-Type Hbga


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystallographic Structure of Human Rotavirus K8 VP8* in Complex with A-Type Hbga within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl310 b:13.7 occ:1.00 NE2 B:HIS129 3.0 9.2 1.0 NE2 B:GLN116 3.1 16.3 1.0 CD2 B:HIS129 3.7 9.4 1.0 CE1 B:HIS129 4.0 8.9 1.0 CD B:GLN116 4.2 16.9 1.0 CB B:GLN116 4.3 14.8 1.0 CG B:GLN116 4.4 16.2 1.0 CB B:GLN127 4.6 10.5 1.0 CG B:HIS129 5.0 8.9 1.0

X.Yu, R.Mishra, G.Holloway, M.Von Itzstein, B.S.Coulson, H.Blanchard. Substantial Receptor-Induced Structural Rearrangement of Rotavirus VP8*: Potential Implications For Cross-Species Infection. Chembiochem V. 16 2176 2015.
ISSN: ESSN 1439-7633
PubMed: 26250751
DOI: 10.1002/CBIC.201500360