SMTL ID : 5ajb.1

X-ray structure of the RSL lectin in complex with Lewis X tetrasaccahride

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.80 Å

Oligo State

homo-trimer

Ligands

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

NAG-FUC-GAL.1: 10 residues within 4Å: Chain A: R.17, E.28, Y.37, G.39, A.40, F.41, I.59, I.61, W.76, W.81 2 PLIP interactions: 2 interactions with chain A Hydrophobic interactions: A:I.59, A:I.61 Hydrogen bonds: A:R.17, A:E.28, A:A.40, A:F.41, A:A.40, A:R.17 Water bridges: A:Y.37 NAG-FUC-GAL.3: 16 residues within 4Å: Chain B: W.10, S.15, R.17, E.28, D.32, Y.37, G.39, A.40, F.41, S.57, A.58, I.59, I.61, W.76, G.78, W.81 2 PLIP interactions: 2 interactions with chain B Hydrophobic interactions: B:I.59, B:I.61, B:Y.37 Hydrogen bonds: B:R.17, B:E.28, B:A.40, B:F.41, B:S.15, B:S.15, B:R.17, B:D.32, B:Y.37, B:Y.37, B:S.57, B:I.59, B:G.78 Water bridges: B:D.32 NAG-FUC-GAL.4: 14 residues within 4Å: Chain B: H.60, R.62, E.73, C.75, D.77, K.83, G.84, A.85, Y.86 Chain C: V.13, P.14, I.16, W.31, W.36 3 PLIP interactions: 1 interactions with chain B, 2 interactions with chain C Hydrogen bonds: B:R.62, B:E.73, B:A.85, B:Y.86, C:V.13, B:A.85 Hydrophobic interactions: C:I.16 Water bridges: C:V.13, C:G.33, C:G.33 NAG-FUC-GAL.6: 13 residues within 4Å: Chain A: V.13, P.14, I.16, W.31, W.36 Chain C: H.60, R.62, E.73, C.75, D.77, G.84, A.85, Y.86 3 PLIP interactions: 1 interactions with chain C, 2 interactions with chain A Hydrogen bonds: C:R.62, C:E.73, C:A.85, C:Y.86, A:V.13 Hydrophobic interactions: A:I.16 Water bridges: C:H.60, A:V.13

1 x GLA- NAG- FUC- GAL: alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-galactopyranose

GLA-NAG-FUC-GAL.2: 14 residues within 4Å: Chain A: W.53, H.60, R.62, E.73, D.77, K.83, G.84, A.85, Y.86 Chain B: V.13, P.14, I.16, W.31, W.36 2 PLIP interactions: 1 interactions with chain A, 1 interactions with chain B Hydrophobic interactions: A:W.53, B:I.16 Hydrogen bonds: A:R.62, A:E.73, A:A.85, A:Y.86 Water bridges: B:V.13, A:W.53, B:G.33

1 x NAG- FUC: alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose(Non-covalent)

NAG-FUC.5: 11 residues within 4Å: Chain C: R.17, E.28, C.30, D.32, Y.37, G.39, A.40, F.41, I.61, W.76, W.81 1 PLIP interactions: 1 interactions with chain C Hydrophobic interactions: C:I.61 Hydrogen bonds: C:R.17, C:E.28, C:Y.37, C:A.40, C:F.41 Water bridges: C:T.38, C:D.32

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Topin, J. et al., The Hidden Conformation of Lewis X, a Human Histo-Blood Group Antigen, is a Determinant for Recognition by Pathogen Lectins. Acs Chem.Biol. (2016)

Release Date

2016-03-02

Peptides

LECTIN: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

LECTIN

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