SMTL ID : 7c3c.1

Crystal structure of AofleA from Arthrobotrys oligospora in complex with D-manose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.30 Å

Oligo State

homo-dimer

Ligands

1 x MAN: alpha-D-mannopyranose(Non-covalent)

MAN.1: 8 residues within 4Å: Chain A: R.204, E.216, V.218, G.227, Q.228, F.229, N.269, W.273 10 PLIP interactions: 10 interactions with chain A Hydrogen bonds: A:R.204, A:E.216, A:Q.228, A:F.229, A:N.269, A:N.269, A:W.273 Water bridges: A:R.225 Salt bridges: A:R.193, A:R.204

7 x GOL: GLYCEROL(Non-functional Binders)

GOL.2: 5 residues within 4Å: Chain A: N.49, W.65, R.304, E.316, I.318 8 PLIP interactions: 8 interactions with chain A Hydrogen bonds: A:N.49, A:R.304, A:R.304 Water bridges: A:E.316, A:R.320, A:H.329, A:H.329, A:H.329 GOL.3: 8 residues within 4Å: Chain A: Q.228, F.229, V.230, I.231, S.267, W.273, K.274, P.276 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:Q.228, A:V.230, A:V.230, A:S.267, A:K.274 GOL.4: 5 residues within 4Å: Chain A: F.145, R.151, E.163, W.219, W.224 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:R.151, A:E.163, A:W.224 GOL.5: 9 residues within 4Å: Chain A: S.40, Y.41, V.191, A.242, T.243, V.244, A.291, T.292, S.293 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:S.40, A:V.244, A:T.292, A:S.293 GOL.7: 6 residues within 4Å: Chain B: N.49, W.65, R.304, E.316, I.318, R.320 7 PLIP interactions: 7 interactions with chain B Hydrogen bonds: B:N.49, B:R.304, B:Y.306, B:R.320 Water bridges: B:G.46, B:W.69, B:E.316 GOL.8: 8 residues within 4Å: Chain B: Q.228, F.229, V.230, I.231, S.267, W.273, K.274, P.276 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:Q.228, B:V.230, B:V.230, B:S.267, B:K.274 GOL.9: 5 residues within 4Å: Chain B: F.145, R.151, E.163, W.219, W.224 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:R.151, B:E.163, B:W.224

3 x BMA: beta-D-mannopyranose(Non-covalent)

BMA.6: 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 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:R.98, A:Y.123, A:A.126, A:L.127, A:W.172 Water bridges: A:Y.123 Salt bridges: A:R.98 BMA.10: 10 residues within 4Å: Chain B: 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 B Hydrogen bonds: B:R.98, B:R.98, B:Y.123, B:Y.123, B:A.126, B:L.127, B:W.172 Salt bridges: B:R.98 BMA.11: 9 residues within 4Å: Chain B: R.193, R.204, E.216, R.225, G.227, Q.228, F.229, N.269, W.273 10 PLIP interactions: 10 interactions with chain B Hydrogen bonds: B:R.204, B:E.216, B:R.225, B:Q.228, B:F.229, B:N.269, B:W.273 Water bridges: B:R.193 Salt bridges: B:R.193, B:R.204

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

AofleA: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

AofleA

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