SMTL ID : 6tig.1

Structure of the N terminal domain of Bc2L-C lectin (1-131) in complex with Globo H (H-type 3) antigen

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.90 Å

Oligo State

homo-trimer

Ligands

1 x GLA- NGA- GAL- FUC: alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose(Non-covalent)

GLA-NGA-GAL-FUC.1: 9 residues within 4Å: Chain A: Y.51, E.84, S.85, T.86, G.87, R.88 Chain C: F.57, T.77, R.114 2 PLIP interactions: 1 interactions with chain A, 1 interactions with chain C Hydrophobic interactions: A:Y.51, C:F.57 Hydrogen bonds: A:R.88, C:T.77, C:R.114, C:R.114, C:R.114 Water bridges: A:R.88, C:Y.61, C:Y.61, C:Y.61

2 x GAL- GLA- NGA- GAL- FUC: alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose(Non-covalent)

GAL-GLA-NGA-GAL-FUC.2: 9 residues within 4Å: Chain A: F.57, T.77, R.114 Chain B: Y.51, E.84, S.85, T.86, G.87, R.88 2 PLIP interactions: 1 interactions with chain B, 1 interactions with chain A Hydrophobic interactions: B:Y.51, A:F.57 Hydrogen bonds: B:R.88, A:T.77, A:R.114, A:R.114, A:R.114 Water bridges: B:R.88, A:Y.61, A:Y.61, B:T.86 GAL-GLA-NGA-GAL-FUC.3: 10 residues within 4Å: Chain B: F.57, Y.61, T.77, K.81, R.114 Chain C: Y.51, S.85, T.86, G.87, R.88 3 PLIP interactions: 1 interactions with chain C, 2 interactions with chain B Hydrophobic interactions: C:Y.51, B:F.57 Hydrogen bonds: C:R.88, B:T.77, B:R.114, B:R.114, B:Y.61, B:R.114 Water bridges: B:T.77, C:R.88, B:Y.61, B:R.114

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Bermeo, R. et al., BC2L-C N-Terminal Lectin Domain Complexed with Histo Blood Group Oligosaccharides Provides New Structural Information. Molecules (2020)

Release Date

2020-01-22

Peptides

Lectin: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
AAA

B
BBB

C
CCC

Lectin

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