SMTL ID : 2dwr.1

Crystal structure of the human Wa rotavirus VP8* carbohydrate-recognising domain

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.50 Å

Oligo State

monomer

Ligands

2 x GOL: GLYCEROL(Non-functional Binders)

GOL.1: 6 residues within 4Å: Chain A: L.104, Y.106, W.111, T.122, R.146, E.149 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:T.122, A:T.122, A:R.146, A:R.146 GOL.2: 4 residues within 4Å: Chain A: R.92, T.93, H.114 Ligands: IPA.4 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:T.93, A:T.93 Water bridges: A:H.114

2 x IPA: ISOPROPYL ALCOHOL(Non-functional Binders)

IPA.3: 4 residues within 4Å: Chain A: N.26, R.54, Q.55, Y.56 4 PLIP interactions: 4 interactions with chain A Hydrophobic interactions: A:R.54, A:Y.56 Hydrogen bonds: A:N.26 Water bridges: A:Y.56 IPA.4: 5 residues within 4Å: Chain A: N.90, R.91, R.92, T.93 Ligands: GOL.2 No protein-ligand interaction detected (PLIP)

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Blanchard, H. et al., Insight into Host Cell Carbohydrate-recognition by Human and Porcine Rotavirus from Crystal Structures of the Virion Spike Associated Carbohydrate-binding Domain (VP8*). J.Mol.Biol. (2007)

Release Date

2007-04-03

Peptides

Outer capsid protein: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Outer capsid protein