SMTL ID : 2r61.1

Crystal structure of the Staphylococcal superantigen-like protein SSL5 in complex with sialyl-Lewis X at pH 7.4

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.75 Å

Oligo State

monomer

Ligands

1 x NAG- GAL- SIA- FUC: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose(Non-covalent)

NAG-GAL-SIA-FUC.1: 10 residues within 4Å: Chain A: L.141, Y.177, Y.178, T.179, E.181, K.184, Q.187, H.189, R.190, D.193 8 PLIP interactions: 8 interactions with chain A Hydrogen bonds: A:K.184, A:E.181, A:K.184, A:R.190, A:K.184, A:Q.187, A:Y.177, A:T.179, A:T.179, A:R.190, A:D.193, A:D.193 Water bridges: A:T.179, A:E.181, A:R.190, A:T.179 Salt bridges: A:H.189, A:R.190

1 x CL: CHLORIDE ION(Non-covalent)

CL.2: 2 residues within 4Å: Chain A: K.114, R.131 Ligand excluded by PLIP

1 x SRT: S,R MESO-TARTARIC ACID(Non-covalent)

SRT.3: 3 residues within 4Å: Chain A: R.39, I.66, L.69 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:L.69 Salt bridges: A:R.39

1 x GOL: GLYCEROL(Non-covalent)

GOL.4: 7 residues within 4Å: Chain A: E.120, K.164, D.165, S.166, N.206, I.207, R.208 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:D.165, A:D.165, A:D.165 Water bridges: A:E.120

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Baker, H.M. et al., Crystal structures of the staphylococcal toxin SSL5 in complex with sialyl Lewis X reveal a conserved binding site that shares common features with viral and bacterial sialic acid binding proteins. J.Mol.Biol. (2007)

Release Date

2007-11-27

Peptides

Exotoxin 3: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Exotoxin 3