SMTL ID : 4csy.1 (1 other biounit)

E-selectin lectin, EGF-like and two SCR domains complexed with Sialyl Lewis X

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.41 Å

Oligo State

monomer

Ligands

1 x MAG- GAL- SIA- FUC: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside(Post Translational Modification)

MAG-GAL-SIA-FUC.1: 13 residues within 4Å: Chain A: Y.48, E.80, N.82, R.84, Q.85, E.88, E.92, Y.94, R.97, N.105, D.106, E.107 Ligands: CA.9 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:N.82, A:Q.85, A:E.88, A:N.105, A:N.105, A:E.107, A:E.92, A:Y.94, A:R.97, A:R.97, A:Q.85 Water bridges: A:Y.48, A:E.98 Salt bridges: A:R.97

7 x NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)

NAG.2: 3 residues within 4Å: Chain A: L.176, Y.181, N.182 4 PLIP interactions: 4 interactions with chain A Hydrophobic interactions: A:L.176 Hydrogen bonds: A:N.182 Water bridges: A:P.146, A:Y.181 NAG.3: 4 residues within 4Å: Chain A: N.139, Y.140, L.151, K.152 1 PLIP interactions: 1 interactions with chain A Water bridges: A:N.138 NAG.4: 5 residues within 4Å: Chain A: S.149, Q.155, I.156, N.158 Ligands: NAG.5 5 PLIP interactions: 5 interactions with chain A Hydrophobic interactions: A:Q.155 Hydrogen bonds: A:Q.155, A:I.156, A:N.158 Water bridges: A:S.180 NAG.5: 4 residues within 4Å: Chain A: L.176, G.177, N.178 Ligands: NAG.4 1 PLIP interactions: 1 interactions with chain A Water bridges: A:N.178 NAG.6: 2 residues within 4Å: Chain A: N.4, R.22 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:R.22 Water bridges: A:T.7, A:Y.18 NAG.7: 1 residues within 4Å: Chain A: N.124 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:N.124 NAG.8: 4 residues within 4Å: Chain A: Y.193, V.218, W.243, N.244 3 PLIP interactions: 3 interactions with chain A Hydrophobic interactions: A:V.218, A:W.243 Hydrogen bonds: A:N.244

1 x CA: CALCIUM ION(Non-covalent)

CA.9: 6 residues within 4Å: Chain A: E.80, N.82, E.88, N.105, D.106 Ligands: MAG-GAL-SIA-FUC.1 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:E.80, A:E.88, A:D.106, A:D.106

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Preston, R.C. et al., E-Selectin Ligand Complexes Adopt an Extended High-Affinity Conformation. J.Mol.Cell.Biol. (2016)

Release Date

2014-09-24

Peptides

E-SELECTIN: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

E-SELECTIN

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