SMTL ID : 2bs6.1

LECTIN FROM RALSTONIA SOLANACEARUM COMPLEXED WITH XYLOGLUCAN FRAGMENT

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.80 Å

Oligo State

homo-trimer

Ligands

3 x XYS- GAL- FUC: alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-2)-alpha-D-xylopyranose(Non-functional Binders)(Non-covalent)

XYS-GAL-FUC.1: 11 residues within 4Å: Chain A: R.17, E.28, D.32, Y.37, G.39, A.40, F.41, I.59, I.61, W.76, W.81 1 PLIP interactions: 1 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 Water bridges: A:T.38, A:Y.37 XYS-GAL-FUC.2: 11 residues within 4Å: Chain B: R.17, E.28, D.32, Y.37, G.39, A.40, F.41, I.59, I.61, W.76, W.81 2 PLIP interactions: 2 interactions with chain B Hydrophobic interactions: B:I.59, B:I.61 Hydrogen bonds: B:R.17, B:E.28, B:A.40, B:F.41, B:D.32 Water bridges: B:T.38, B:D.32 XYS-GAL-FUC.3: 12 residues within 4Å: Chain C: R.17, E.28, C.30, D.32, Y.37, G.39, A.40, F.41, I.59, I.61, W.76, W.81 4 PLIP interactions: 4 interactions with chain C Hydrophobic interactions: C:I.59, C:I.61 Hydrogen bonds: C:R.17, C:E.28, C:Y.37, C:A.40, C:F.41, C:D.32, C:Y.37 Water bridges: C:D.32, C:G.78

6 x GOL: GLYCEROL(Non-covalent)(Non-functional Binders)

GOL.4: 9 residues within 4Å: Chain A: S.2, V.3, Q.4, A.21, N.22, N.23, G.24, D.46 Ligands: GOL.5 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:G.24 Water bridges: A:S.2, A:S.2, A:N.23, A:N.23 GOL.5: 7 residues within 4Å: Chain A: S.1, S.2, V.3, N.22, N.23 Chain C: T.69 Ligands: GOL.4 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:S.1, A:N.22, A:N.23 GOL.7: 7 residues within 4Å: Chain A: G.68, T.69 Chain B: S.1, S.2, N.22, N.23 Ligands: GOL.8 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:S.1, B:N.23 GOL.8: 9 residues within 4Å: Chain B: S.2, V.3, Q.4, A.21, N.22, N.23, G.24, D.46 Ligands: GOL.7 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:S.2, B:G.24, B:D.46 Water bridges: B:S.2, B:V.3 GOL.10: 7 residues within 4Å: Chain B: G.68, T.69 Chain C: S.1, V.3, N.22, N.23 Ligands: GOL.11 3 PLIP interactions: 3 interactions with chain C Hydrogen bonds: C:S.1, C:N.22, C:N.23 GOL.11: 9 residues within 4Å: Chain C: S.2, Q.4, A.21, N.22, N.23, G.24, G.45, D.46 Ligands: GOL.10 4 PLIP interactions: 4 interactions with chain C Hydrogen bonds: C:S.2, C:G.24, C:D.46, C:D.46

3 x FUC: alpha-L-fucopyranose(Non-covalent)

FUC.6: 7 residues within 4Å: Chain A: R.62, E.73, S.84 Chain B: P.14, I.16, W.31, W.36 9 PLIP interactions: 8 interactions with chain A, 1 interactions with chain B Hydrogen bonds: A:R.62, A:E.73, A:S.84, A:S.84 Water bridges: A:A.85, A:A.85, A:Y.86 Salt bridges: A:R.62 Hydrophobic interactions: B:I.16 FUC.9: 7 residues within 4Å: Chain B: R.62, E.73, S.84 Chain C: P.14, I.16, W.31, W.36 9 PLIP interactions: 8 interactions with chain B, 1 interactions with chain C Hydrogen bonds: B:R.62, B:E.73, B:S.84, B:S.84 Water bridges: B:A.85, B:Y.86, B:Y.86 Salt bridges: B:R.62 Hydrophobic interactions: C:I.16 FUC.12: 7 residues within 4Å: Chain A: P.14, I.16, W.31, W.36 Chain C: R.62, E.73, S.84 8 PLIP interactions: 7 interactions with chain C, 1 interactions with chain A Hydrogen bonds: C:R.62, C:E.73, C:S.84, C:S.84 Water bridges: C:Y.86, C:Y.86 Salt bridges: C:R.62 Hydrophobic interactions: A:I.16

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Kostlanova, N. et al., The fucose-binding lectin from Ralstonia solanacearum. A new type of beta-propeller architecture formed by oligomerization and interacting with fucoside, fucosyllactose, and plant xyloglucan. J. Biol. Chem. (2005)

Release Date

2005-05-19

Peptides

LECTIN: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

LECTIN