SMTL ID : 3zi8.1

Structure of the R17A mutant of the Ralstonia soleanacerum lectin at 1.5 Angstrom in complex with L-fucose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.50 Å

Oligo State

homo-trimer

Ligands

3 x FUL: beta-L-fucopyranose(Non-covalent)

FUL.1: 9 residues within 4Å: Chain A: W.53, R.62, E.73, G.84, A.85, Y.86 Chain C: I.16, W.31, W.36 5 PLIP interactions: 5 interactions with chain A Hydrophobic interactions: A:W.53 Hydrogen bonds: A:R.62, A:E.73, A:A.85, A:Y.86 FUL.4: 9 residues within 4Å: Chain A: I.16, W.31, W.36 Chain B: W.53, R.62, E.73, G.84, A.85, Y.86 5 PLIP interactions: 5 interactions with chain B Hydrophobic interactions: B:W.53 Hydrogen bonds: B:R.62, B:E.73, B:A.85, B:Y.86 FUL.7: 9 residues within 4Å: Chain B: I.16, W.31, W.36 Chain C: W.53, R.62, E.73, G.84, A.85, Y.86 5 PLIP interactions: 5 interactions with chain C Hydrophobic interactions: C:W.53 Hydrogen bonds: C:R.62, C:E.73, C:A.85, C:Y.86

3 x MG: MAGNESIUM ION(Non-covalent)

MG.2: 2 residues within 4Å: Chain A: A.7 Chain B: V.50 6 PLIP interactions: 1 interactions with chain A, 1 interactions with chain B, 4 Ligand-Water interactions Metal complexes: A:A.7, B:V.50, H2O.1, H2O.1, H2O.1, H2O.5 MG.5: 2 residues within 4Å: Chain B: A.7 Chain C: V.50 6 PLIP interactions: 1 interactions with chain C, 1 interactions with chain B, 4 Ligand-Water interactions Metal complexes: C:V.50, B:A.7, H2O.5, H2O.5, H2O.5, H2O.9 MG.8: 2 residues within 4Å: Chain A: V.50 Chain C: A.7 6 PLIP interactions: 1 interactions with chain A, 1 interactions with chain C, 4 Ligand-Water interactions Metal complexes: A:V.50, C:A.7, H2O.1, H2O.9, H2O.9, H2O.9

3 x MRD: (4R)-2-METHYLPENTANE-2,4-DIOL(Non-functional Binders)

MRD.3: 7 residues within 4Å: Chain A: W.10, E.28, C.30, Y.37, I.61, W.76, W.81 7 PLIP interactions: 7 interactions with chain A Hydrophobic interactions: A:W.10, A:W.76, A:W.76, A:W.81 Hydrogen bonds: A:E.28 Water bridges: A:A.40, A:A.40 MRD.6: 7 residues within 4Å: Chain B: W.10, E.28, C.30, Y.37, I.61, W.76, W.81 7 PLIP interactions: 7 interactions with chain B Hydrophobic interactions: B:W.10, B:W.76, B:W.76, B:W.81 Hydrogen bonds: B:E.28 Water bridges: B:A.40, B:A.40 MRD.9: 7 residues within 4Å: Chain C: W.10, E.28, C.30, Y.37, I.61, W.76, W.81 7 PLIP interactions: 7 interactions with chain C Hydrophobic interactions: C:W.10, C:W.76, C:W.76, C:W.81 Hydrogen bonds: C:E.28 Water bridges: C:A.40, C:A.40

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Arnaud, J. et al., Reduction of Lectin Valency Drastically Changes Glycolipid Dynamics in Membranes, But not Surface Avidity. Acs Chem.Biol. (2013)

Release Date

2013-07-31

Peptides

PUTATIVE FUCOSE-BINDING LECTIN PROTEIN: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

C
A

PUTATIVE FUCOSE-BINDING LECTIN PROTEIN