SMTL ID : 1kqr.1

Crystal Structure of the Rhesus Rotavirus VP4 Sialic Acid Binding Domain in Complex with 2-O-methyl-alpha-D-N-acetyl neuraminic acid

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.40 Å

Oligo State

monomer

Ligands

1 x SO4: SULFATE ION(Non-functional Binders)

SO4.1: 3 residues within 4Å: Chain A: S.89, Q.90, T.91 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:S.89, A:Q.90, A:T.91

1 x MNA: 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid(Non-covalent)

MNA.2: 8 residues within 4Å: Chain A: R.56, V.99, T.101, Y.110, K.142, Y.143, Y.144, S.145 9 PLIP interactions: 9 interactions with chain A Hydrophobic interactions: A:K.142, A:Y.143, A:Y.144 Hydrogen bonds: A:R.56, A:R.56, A:Y.143, A:S.145 Water bridges: A:Y.110, A:Y.143

1 x GOL: GLYCEROL(Non-functional Binders)

GOL.3: 7 residues within 4Å: Chain A: W.36, M.123, H.125, Y.130, T.141, R.165, E.168 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:T.141, A:T.141, A:R.165, A:R.165 Water bridges: A:H.125

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Dormitzer, P.R. et al., The Rhesus Rotavirus VP4 Sialic Acid Binding Domain has a Galectin Fold with a Novel Carbohydrate Binding Site. Embo J. (2002)

Release Date

2002-03-27

Peptides

VP4: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

VP4