SMTL ID : 3sit.1 (1 other biounit)

Crystal structure of porcine CRW-8 Rotavirus VP8* in complex with aceramido-GM3

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.80 Å

Oligo State

monomer

Ligands

1 x GLC- GAL- SIA: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose

GLC-GAL-SIA.1: 6 residues within 4Å: Chain A: R.40, S.83, H.94, Y.127, Y.128, S.129 11 PLIP interactions: 11 interactions with chain A Water bridges: A:R.40, A:H.94, A:H.94, A:Y.127, A:Y.127 Hydrophobic interactions: A:Y.128 Hydrogen bonds: A:R.40, A:R.40, A:S.83, A:S.83, A:Y.127, A:S.129

1 x NA: SODIUM ION(Non-functional Binders)

NA.2: 6 residues within 4Å: Chain A: D.81, G.95, Y.104, T.115, Y.116, N.117 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:Y.104, A:T.115, A:Y.116

1 x MRD: (4R)-2-METHYLPENTANE-2,4-DIOL(Non-functional Binders)

MRD.3: 9 residues within 4Å: Chain A: P.25, T.26, V.27, E.28, G.29, V.30, V.31, F.141, C.142 3 PLIP interactions: 3 interactions with chain A Hydrophobic interactions: A:P.25, A:V.31 Hydrogen bonds: A:T.26

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Yu, X. et al., Novel structural insights into rotavirus recognition of ganglioside glycan receptors. J.Mol.Biol. (2011)

Release Date

2011-09-28

Peptides

Outer capsid protein VP4: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Outer capsid protein VP4

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