SMTL ID : 7c39.1

Crystal structure of AofleA from Arthrobotrys oligospora in complex with methylated L-fucose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.85 Å

Oligo State

homo-dimer

Ligands

2 x CIT: CITRIC ACID(Non-functional Binders)

CIT.1: 6 residues within 4Å: Chain A: W.65, W.69, E.316, I.318, R.320, H.329 8 PLIP interactions: 8 interactions with chain A Hydrogen bonds: A:R.320, A:R.320 Water bridges: A:R.304, A:E.316 Salt bridges: A:R.320, A:R.320, A:H.329, A:H.329 CIT.5: 5 residues within 4Å: Chain B: W.65, W.69, E.316, R.320, H.329 12 PLIP interactions: 12 interactions with chain B Hydrogen bonds: B:R.320 Water bridges: B:N.49, B:W.69, B:R.304, B:R.304, B:R.304, B:R.304, B:H.329 Salt bridges: B:R.320, B:R.320, B:H.329, B:H.329

6 x MFU: methyl alpha-L-fucopyranoside(Non-covalent)

MFU.2: 10 residues within 4Å: Chain A: W.91, R.98, E.110, Y.123, G.125, A.126, L.127, L.150, F.166, W.172 8 PLIP interactions: 8 interactions with chain A Hydrophobic interactions: A:W.91, A:L.150, A:F.166 Hydrogen bonds: A:E.110, A:A.126, A:L.127 Water bridges: A:D.124 Salt bridges: A:R.98 MFU.3: 10 residues within 4Å: Chain A: R.193, R.204, E.216, V.218, R.225, G.227, Q.228, F.229, N.269, W.273 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:E.216, A:Q.228, A:F.229 Water bridges: A:R.204, A:Q.228 Salt bridges: A:R.204 MFU.4: 7 residues within 4Å: Chain A: R.151, E.163, A.176, P.201, I.203, W.219, W.224 6 PLIP interactions: 6 interactions with chain A Hydrophobic interactions: A:P.201, A:I.203, A:W.219 Hydrogen bonds: A:R.151, A:E.163 Salt bridges: A:R.151 MFU.6: 8 residues within 4Å: Chain B: R.193, R.204, E.216, G.227, Q.228, F.229, N.269, W.273 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:E.216, B:Q.228, B:F.229 Water bridges: B:Q.228 Salt bridges: B:R.204 MFU.7: 11 residues within 4Å: Chain B: W.91, R.98, E.110, C.112, Y.123, G.125, A.126, L.127, L.150, F.166, W.172 7 PLIP interactions: 7 interactions with chain B Hydrophobic interactions: B:W.91, B:L.150, B:F.166 Hydrogen bonds: B:E.110, B:A.126, B:L.127 Salt bridges: B:R.98 MFU.8: 6 residues within 4Å: Chain B: R.151, E.163, A.176, P.201, W.219, W.224 5 PLIP interactions: 5 interactions with chain B Hydrophobic interactions: B:P.201, B:W.219 Hydrogen bonds: B:R.151, B:E.163 Salt bridges: B:R.151

1 x GOL: GLYCEROL(Non-functional Binders)

GOL.9: 4 residues within 4Å: Chain B: Q.228, F.229, V.230, W.273 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:V.230, B:V.230

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Liu, M. et al., Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora. Int.J.Biol.Macromol. (2020)

Release Date

2020-07-29

Peptides

AoflcA: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

AoflcA

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