SMTL ID : 2rdg.1

Crystal structure of Staphylococcal Superantigen-Like protein 11 in complex with Sialyl Lewis X

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.60 Å

Oligo State

monomer

Ligands

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

NDG-GAL-SIA-FUC.1: 11 residues within 4Å: Chain A: L.130, D.165, F.166, Y.167, T.168, E.170, K.173, Q.176, H.178, R.179, D.182 9 PLIP interactions: 9 interactions with chain A Hydrogen bonds: A:K.173, A:K.173, A:E.170, A:Q.176, A:Q.176, A:F.166, A:T.168, A:R.179, A:D.182 Water bridges: A:E.170, A:Q.176, A:T.168, A:T.168, A:R.179, A:H.178, A:F.166, A:F.166, A:T.168, A:T.168 Salt bridges: A:H.178, A:R.179

3 x K: POTASSIUM ION(Non-covalent)

K.2: 2 residues within 4Å: Chain A: Q.99, N.100 4 PLIP interactions: 1 interactions with chain A, 3 Ligand-Water interactions Metal complexes: A:N.100, H2O.3, H2O.9, H2O.13 K.3: 3 residues within 4Å: Chain A: Q.8, Q.11 Ligands: CIT.5 No protein-ligand interaction detected (PLIP) K.4: 5 residues within 4Å: Chain A: S.108, G.110, Q.111, T.113, T.114 3 PLIP interactions: 2 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:S.108, A:G.110, H2O.6

1 x CIT: CITRIC ACID(Non-functional Binders)

CIT.5: 3 residues within 4Å: Chain A: Q.8, E.15 Ligands: K.3 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:Q.8 Water bridges: A:Q.11, A:D.12, A:E.15

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Chung, M.C. et al., The crystal structure of staphylococcal superantigen-like protein 11 in complex with sialyl Lewis X reveals the mechanism for cell binding and immune inhibition. Mol.Microbiol. (2007)

Release Date

2007-12-18

Peptides

Superantigen-like protein 11: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Superantigen-like protein 11

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