SMTL ID : 4ah4.1 (1 other biounit)

Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with BGA Oligosaccharide.

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.75 Å

Oligo State

monomer

Ligands

5 x GAL- FUC- A2G: alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose(Non-covalent)

GAL-FUC-A2G.1: 9 residues within 4Å: Chain A: R.25, E.37, L.39, E.41, N.46, L.69, I.72, Y.88, W.94 1 PLIP interactions: 1 interactions with chain A Hydrophobic interactions: A:L.39, A:E.41, A:I.72, A:Y.88 Hydrogen bonds: A:N.46, A:R.25, A:E.37 Water bridges: A:W.94, A:Y.88 GAL-FUC-A2G.2: 10 residues within 4Å: Chain A: R.73, E.85, Y.95, G.97, G.98, L.99, L.123, L.125, W.141, W.146 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:G.98, A:R.73, A:E.85, A:G.98, A:L.99 Hydrophobic interactions: A:L.123, A:L.125 GAL-FUC-A2G.3: 7 residues within 4Å: Chain A: Y.168, R.177, Q.189, Y.199, I.227, M.229, W.245 2 PLIP interactions: 2 interactions with chain A Hydrophobic interactions: A:W.245, A:I.227, A:W.245 Hydrogen bonds: A:Y.168, A:R.177, A:Q.189, A:Q.189 Water bridges: A:Y.199, A:Y.168, A:Y.168 GAL-FUC-A2G.4: 10 residues within 4Å: Chain A: R.230, Q.242, C.244, K.249, H.252, D.253, F.274, P.279, L.281, W.299 9 PLIP interactions: 9 interactions with chain A Hydrophobic interactions: A:K.249, A:F.274, A:P.279, A:L.281, A:W.299 Hydrogen bonds: A:D.253, A:R.230, A:Q.242, A:Q.242 Water bridges: A:D.246, A:H.252, A:D.253, A:W.299 GAL-FUC-A2G.5: 9 residues within 4Å: Chain A: N.22, L.24, Y.40, W.44, R.282, E.296, V.298, N.300, H.303 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:N.300, A:H.303, A:R.282, A:E.296, A:R.309, A:Y.40 Hydrophobic interactions: A:N.22, A:Y.40 Water bridges: A:W.44, A:N.300, A:R.282, A:R.282, A:R.282

1 x FUC: alpha-L-fucopyranose

FUC.6: 8 residues within 4Å: Chain A: L.117, R.126, E.138, M.140, T.150, I.176, Y.192, W.198 8 PLIP interactions: 8 interactions with chain A Hydrophobic interactions: A:L.117, A:I.176, A:Y.192 Hydrogen bonds: A:R.126, A:E.138, A:T.150, A:T.150 Salt bridges: A:R.126

1 x CL: CHLORIDE ION(Non-functional Binders)

CL.7: 1 residues within 4Å: Chain A: K.50 Ligand excluded by PLIP

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Houser, J. et al., Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent. Acta Crystallogr.,Sect.D (2015)

Release Date

2013-02-20

Peptides

FUCOSE-SPECIFIC LECTIN FLEA: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

FUCOSE-SPECIFIC LECTIN FLEA

Related Entries With Identical Sequence