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

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

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.60 Å

Oligo State

homo-dimer

Ligands

13 x SFU: methyl 1-seleno-alpha-L-fucopyranoside(Non-covalent)

SFU.1: 6 residues within 4Å: Chain A: R.25, E.37, L.69, I.72, Y.88, W.94 7 PLIP interactions: 7 interactions with chain A Hydrophobic interactions: A:L.69, A:I.72, A:Y.88 Hydrogen bonds: A:R.25, A:E.37 Water bridges: A:E.37, A:W.94 SFU.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 7 PLIP interactions: 7 interactions with chain A Hydrophobic interactions: A:L.123, A:L.125 Hydrogen bonds: A:R.73, A:E.85, A:Y.95, A:G.98, A:L.99 SFU.3: 7 residues within 4Å: Chain A: R.126, E.138, M.140, T.150, I.176, Y.192, W.198 7 PLIP interactions: 7 interactions with chain A Hydrophobic interactions: A:I.176, A:Y.192 Hydrogen bonds: A:R.126, A:E.138, A:T.150, A:T.150, A:T.150 SFU.4: 7 residues within 4Å: Chain A: Y.168, R.177, Q.189, Y.199, I.227, M.229, W.245 7 PLIP interactions: 7 interactions with chain A Hydrophobic interactions: 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 SFU.5: 7 residues within 4Å: Chain A: R.230, Q.242, C.244, F.274, P.279, L.281, W.299 8 PLIP interactions: 8 interactions with chain A Hydrophobic interactions: A:F.274, A:P.279, A:L.281, A:W.299 Hydrogen bonds: A:R.230, A:Q.242, A:Q.242 Water bridges: A:W.299 SFU.6: 6 residues within 4Å: Chain A: N.22, L.24, Y.40, W.44, R.282, E.296 8 PLIP interactions: 8 interactions with chain A Hydrophobic interactions: A:N.22, A:L.24, A:Y.40 Hydrogen bonds: A:R.282, A:E.296, A:R.309 Water bridges: A:N.22, A:W.44 SFU.7: 7 residues within 4Å: Chain B: R.25, E.37, L.39, L.69, I.72, Y.88, W.94 5 PLIP interactions: 5 interactions with chain B Hydrophobic interactions: B:L.69, B:I.72, B:Y.88 Hydrogen bonds: B:R.25, B:E.37 SFU.8: 11 residues within 4Å: Chain B: R.73, E.85, Y.95, G.97, G.98, L.99, L.123, L.125, W.141, W.146 Ligands: SFU.13 7 PLIP interactions: 7 interactions with chain B Hydrophobic interactions: B:L.123, B:L.125 Hydrogen bonds: B:R.73, B:E.85, B:Y.95, B:G.98, B:L.99 SFU.9: 7 residues within 4Å: Chain B: R.126, E.138, M.140, T.150, I.176, Y.192, W.198 7 PLIP interactions: 7 interactions with chain B Hydrophobic interactions: B:I.176, B:Y.192 Hydrogen bonds: B:R.126, B:E.138, B:T.150, B:T.150, B:T.150 SFU.10: 8 residues within 4Å: Chain B: Y.168, R.177, Q.189, Y.199, I.227, M.229, W.245, Y.251 7 PLIP interactions: 7 interactions with chain B Hydrophobic interactions: B:I.227, B:W.245 Hydrogen bonds: B:Y.168, B:R.177, B:Q.189, B:Q.189 Water bridges: B:Y.199 SFU.11: 7 residues within 4Å: Chain B: R.230, Q.242, C.244, F.274, P.279, L.281, W.299 8 PLIP interactions: 8 interactions with chain B Hydrophobic interactions: B:F.274, B:P.279, B:L.281, B:W.299 Hydrogen bonds: B:R.230, B:Q.242, B:Q.242 Water bridges: B:W.299 SFU.12: 7 residues within 4Å: Chain B: N.22, L.24, Y.40, W.44, R.282, E.296, R.309 7 PLIP interactions: 7 interactions with chain B Hydrophobic interactions: B:N.22, B:L.24, B:Y.40 Hydrogen bonds: B:R.282, B:E.296 Water bridges: B:N.22, B:W.44 SFU.13: 6 residues within 4Å: Chain B: Y.95, N.96, G.97, G.98, W.141 Ligands: SFU.8 4 PLIP interactions: 4 interactions with chain B Hydrophobic interactions: B:Y.95 Hydrogen bonds: B:N.96, B:G.97 Water bridges: B:G.101

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Houser, J. et al., A Soluble Fucose-Specific Lectin from Aspergillus Fumigatus Conidia - Structure, Specificity and Possible Role in Fungal Pathogenicity. Plos One (2013)

Release Date

2013-02-06

Peptides

FUCOSE-SPECIFIC LECTIN FLEA: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
C

B
D

FUCOSE-SPECIFIC LECTIN FLEA

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