SMTL ID : 7c3e.1 (1 other biounit)

Crystal structure of R97A/R150A/R203A mutant of AofleA from Arthrobotrys oligospora

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.18 Å

Oligo State

homo-dimer

Ligands

12 x GOL: GLYCEROL(Non-functional Binders)

GOL.1: 5 residues within 4Å: Chain A: N.49, W.65, W.69, R.304, E.316 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:N.49, A:W.69, A:R.304, A:R.304 Water bridges: A:G.46 GOL.2: 8 residues within 4Å: Chain A: Q.228, F.229, V.230, I.231, S.267, W.273, K.274, P.276 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:Q.228, A:V.230, A:S.267, A:K.274 GOL.3: 8 residues within 4Å: Chain A: W.91, E.110, G.125, A.126, L.127, L.150, F.166, W.172 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:W.91, A:A.126, A:L.127 GOL.4: 8 residues within 4Å: Chain A: E.216, V.218, G.227, Q.228, F.229, I.253, N.269, W.273 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:Q.228, A:Q.228, A:F.229, A:W.273 Water bridges: A:R.225 GOL.5: 7 residues within 4Å: Chain A: S.13, H.15, E.25, D.26, I.27, Q.310 Ligands: SO4.11 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:S.13, A:S.13, A:D.26, A:I.27, A:I.27, A:L.311 Water bridges: A:I.328 GOL.6: 4 residues within 4Å: Chain A: R.296, D.297, D.298, Y.321 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:R.296, A:D.297, A:D.297, A:D.298, A:Y.321, A:Y.321 GOL.7: 4 residues within 4Å: Chain A: W.48, L.50, R.64, T.115 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:R.64 Water bridges: A:W.113 GOL.13: 7 residues within 4Å: Chain B: N.49, W.65, W.69, R.304, E.316, I.318, R.320 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:N.49, B:R.304, B:R.304, B:R.320 GOL.14: 7 residues within 4Å: Chain B: Q.228, F.229, V.230, I.231, S.267, W.273, K.274 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:Q.228, B:V.230, B:S.267, B:K.274 GOL.15: 9 residues within 4Å: Chain B: W.91, E.110, Y.123, G.125, A.126, L.127, L.150, F.166, W.172 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:W.91, B:A.126, B:L.127 GOL.16: 7 residues within 4Å: Chain B: E.216, V.218, G.227, Q.228, F.229, N.269, W.273 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:Q.228, B:Q.228, B:F.229, B:W.273 Water bridges: B:N.269 GOL.17: 5 residues within 4Å: Chain B: F.145, E.163, I.203, W.219, W.224 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:E.163, B:W.224

9 x SO4: SULFATE ION(Non-functional Binders)

SO4.8: 5 residues within 4Å: Chain A: S.40, Y.41, T.243, T.292, S.293 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:T.292, A:T.292, A:S.293 Water bridges: A:V.244, A:V.244, A:V.244 SO4.9: 6 residues within 4Å: Chain A: A.39, S.40, L.86, T.87, A.88, S.290 10 PLIP interactions: 10 interactions with chain A Hydrogen bonds: A:S.40, A:S.40, A:T.87, A:A.88 Water bridges: A:L.86, A:T.87, A:T.87, A:A.142, A:A.291, A:A.291 SO4.10: 4 residues within 4Å: Chain A: Y.41, P.44, K.195, W.196 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:Y.41, A:W.196 Water bridges: A:I.42 SO4.11: 3 residues within 4Å: Chain A: K.327, S.330 Ligands: GOL.5 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:S.330 Water bridges: A:H.329, A:S.330, A:S.330 Salt bridges: A:K.327 SO4.12: 2 residues within 4Å: Chain A: R.296, R.320 3 PLIP interactions: 3 interactions with chain A Water bridges: A:R.296 Salt bridges: A:R.296, A:R.320 SO4.18: 6 residues within 4Å: Chain B: S.40, Y.41, T.243, A.291, T.292, S.293 7 PLIP interactions: 7 interactions with chain B Hydrogen bonds: B:T.292, B:S.293 Water bridges: B:I.42, B:I.42, B:T.243, B:V.244, B:V.244 SO4.19: 6 residues within 4Å: Chain B: A.39, S.40, L.86, T.87, A.88, S.290 10 PLIP interactions: 10 interactions with chain B Hydrogen bonds: B:S.40, B:S.40, B:T.87, B:A.88 Water bridges: B:L.86, B:T.87, B:T.87, B:S.189, B:S.189, B:A.291 SO4.20: 3 residues within 4Å: Chain A: R.35, K.286 Chain B: R.35 7 PLIP interactions: 4 interactions with chain A, 3 interactions with chain B Hydrogen bonds: A:R.35 Water bridges: A:K.286, A:K.286, A:K.286, B:R.35, B:K.286 Salt bridges: B:R.35 SO4.21: 3 residues within 4Å: Chain B: K.327, H.329, S.330 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:S.330 Water bridges: B:S.330, B:S.330, B:S.330 Salt bridges: B:K.327

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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