SMTL ID : 6jk3.1

Crystal structure of a mini fungal lectin, PhoSL in complex with core-fucosylated chitobiose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.12 Å

Oligo State

homo-trimer

Ligands

3 x NAG- NAG- FUC: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose

NAG-NAG-FUC.1: 10 residues within 4Å: Chain A: D.11, G.12, D.13, Y.15, V.36 Chain B: A.1, V.3, L.21, F.23, W.28 6 PLIP interactions: 1 interactions with chain B, 5 interactions with chain A Hydrophobic interactions: B:L.21, B:F.23, B:W.28, A:Y.15, A:V.36 Hydrogen bonds: B:A.1, A:D.11, A:G.12, A:D.13, A:G.12, A:Y.15, A:Y.15 NAG-NAG-FUC.2: 9 residues within 4Å: Chain B: D.11, G.12, D.13, Y.15, V.36 Chain C: A.1, L.21, F.23, W.28 6 PLIP interactions: 5 interactions with chain B, 1 interactions with chain C Hydrophobic interactions: B:V.36, C:L.21, B:V.36, C:W.28 Hydrogen bonds: B:G.12, B:D.13, B:D.13, C:A.1, C:A.1, B:G.12, B:Y.15, B:Y.15 Water bridges: B:D.13 NAG-NAG-FUC.3: 9 residues within 4Å: Chain A: A.1, L.21, F.23, W.28 Chain C: D.11, G.12, D.13, Y.15, V.36 6 PLIP interactions: 5 interactions with chain C, 1 interactions with chain A Hydrogen bonds: C:D.11, C:G.12, C:D.13, C:D.13, A:A.1, A:A.1, C:G.12, C:Y.15, C:Y.15 Hydrophobic interactions: A:L.21, A:F.23, C:Y.15, C:V.36, A:W.28

4 x GOL: GLYCEROL(Non-functional Binders)

GOL.4: 5 residues within 4Å: Chain A: Q.31, W.32, D.33 Chain C: D.33, N.35 10 PLIP interactions: 5 interactions with chain C, 5 interactions with chain A Water bridges: C:D.33, C:T.34, C:N.35, C:N.35, C:N.35, A:K.16, A:K.16, A:K.16, A:D.33 Hydrogen bonds: A:D.33 GOL.5: 5 residues within 4Å: Chain A: D.33, T.34, N.35 Chain B: W.32, D.33 5 PLIP interactions: 2 interactions with chain B, 3 interactions with chain A Hydrogen bonds: B:D.33 Water bridges: B:D.33, A:T.34, A:T.34, A:N.35 GOL.6: 4 residues within 4Å: Chain A: T.39 Chain B: T.18, Y.20, Q.31 6 PLIP interactions: 6 interactions with chain B Hydrogen bonds: B:Y.20, B:Q.31 Water bridges: B:D.11, B:D.11, B:T.18, B:T.18 GOL.7: 5 residues within 4Å: Chain B: D.33, T.34, N.35 Chain C: W.32, D.33 2 PLIP interactions: 2 interactions with chain C Hydrogen bonds: C:D.33, C:D.33

Links

RCSB   PDBe   PDBe-KB   PDBj   PDBsum   CATH   PLIP

Citation

Lou, Y.C. et al., N-terminal amine of PhoSL plays an essential role in core-fucosylated N-glycan recognition. To Be Published

Release Date

2020-03-04

Peptides

Lectin: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

Lectin

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