SMTL ID : 6x3k.1

Hsa Siglec and Unique domains in complex with 6S-sialy-Lewisx

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.50 Å

Oligo State

monomer

Ligands

1 x NGS- FUC- GAL: alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose

NGS-FUC-GAL.1: 7 residues within 4Å: Chain A: V.66, E.67, Y.122, D.137, R.146 Ligands: NA.4, SIA.5 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:D.137, A:Y.122, A:R.146

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

NA.2: 5 residues within 4Å: Chain A: D.26, E.28, D.53, N.54, D.127 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:D.53 NA.3: 5 residues within 4Å: Chain A: N.155, Y.158, P.160, Y.211, D.217 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:Y.211 NA.4: 2 residues within 4Å: Ligands: NGS-FUC-GAL.1, NGS-FUC-GAL.1 1 PLIP interactions: 1 interactions with chain A Water bridges: A:R.121

1 x SIA: N-acetyl-alpha-neuraminic acid(Non-covalent)

SIA.5: 8 residues within 4Å: Chain A: N.65, S.76, S.117, Y.118, Y.119, T.120, R.121 Ligands: NGS-FUC-GAL.1 8 PLIP interactions: 8 interactions with chain A Hydrophobic interactions: A:Y.118 Hydrogen bonds: A:N.65, A:S.76, A:S.76, A:Y.118, A:T.120, A:R.121, A:R.121

Links

RCSB   PDBe   PDBe-KB   PDBj   PDBsum   CATH   PLIP

Citation

Bensing, B.A. et al., Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation. Nat Commun (2022)

Release Date

2021-05-26

Peptides

Streptococcal hemagglutinin: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Streptococcal hemagglutinin

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