SMTL ID : 5fsb.1 (2 other biounits)

Structure of tectonin 2 from laccaria bicolor in complex with 2-o-methyl-methyl-seleno-beta-l-fucopyranoside

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.65 Å

Oligo State

homo-tetramer

Ligands

4 x MG: MAGNESIUM ION(Non-covalent)

MG.1: 1 residues within 4Å: Chain A: R.12 No protein-ligand interaction detected (PLIP) MG.10: 1 residues within 4Å: Chain B: R.12 No protein-ligand interaction detected (PLIP) MG.19: 1 residues within 4Å: Chain C: R.12 No protein-ligand interaction detected (PLIP) MG.28: 1 residues within 4Å: Chain D: R.87 No protein-ligand interaction detected (PLIP)

21 x 6YR: methyl 1-seleno-2-O-methyl-beta-L-fucopyranoside(Non-covalent)

6YR.2: 6 residues within 4Å: Chain A: G.8, S.9, N.25, N.29, Y.31, W.41 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:S.9, A:N.25, A:N.29, A:Y.31 Water bridges: A:S.9, A:S.9 6YR.3: 7 residues within 4Å: Chain A: G.46, A.47, L.48, N.63, N.67, Y.69, W.78 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:A.47, A:N.63, A:N.67 Water bridges: A:Y.69 6YR.4: 6 residues within 4Å: Chain A: G.83, A.84, L.85, N.100, Y.106, W.116 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:A.84, A:N.100, A:Y.106 Water bridges: A:N.100 6YR.5: 8 residues within 4Å: Chain A: G.121, V.122, L.123, N.138, E.142, Y.144, N.154, W.156 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:V.122, A:N.138, A:E.142 Water bridges: A:Y.144 6YR.6: 6 residues within 4Å: Chain A: G.161, A.162, L.163, N.178, Y.184, W.194 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:A.162, A:N.178, A:Y.184 Water bridges: A:A.162 6YR.11: 6 residues within 4Å: Chain B: G.8, S.9, N.25, N.29, Y.31, W.41 6 PLIP interactions: 6 interactions with chain B Hydrogen bonds: B:S.9, B:N.25, B:N.29, B:Y.31 Water bridges: B:S.9, B:S.9 6YR.12: 7 residues within 4Å: Chain B: G.46, A.47, L.48, N.63, N.67, Y.69, W.78 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:A.47, B:N.63, B:N.67 Water bridges: B:Y.69 6YR.13: 6 residues within 4Å: Chain B: G.83, A.84, L.85, N.100, Y.106, W.116 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:A.84, B:N.100, B:Y.106 Water bridges: B:N.100 6YR.14: 8 residues within 4Å: Chain B: G.121, V.122, L.123, N.138, E.142, Y.144, N.154, W.156 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:V.122, B:N.138, B:E.142 Water bridges: B:Y.144 6YR.15: 6 residues within 4Å: Chain B: G.161, A.162, L.163, N.178, Y.184, W.194 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:A.162, B:N.178, B:Y.184 Water bridges: B:A.162 6YR.20: 6 residues within 4Å: Chain C: G.8, S.9, N.25, N.29, Y.31, W.41 6 PLIP interactions: 6 interactions with chain C Hydrogen bonds: C:S.9, C:N.25, C:N.29, C:Y.31 Water bridges: C:S.9, C:S.9 6YR.21: 7 residues within 4Å: Chain C: G.46, A.47, L.48, N.63, N.67, Y.69, W.78 4 PLIP interactions: 4 interactions with chain C Hydrogen bonds: C:A.47, C:N.63, C:N.67 Water bridges: C:Y.69 6YR.22: 6 residues within 4Å: Chain C: G.83, A.84, L.85, N.100, Y.106, W.116 4 PLIP interactions: 4 interactions with chain C Hydrogen bonds: C:A.84, C:N.100, C:Y.106 Water bridges: C:N.100 6YR.23: 8 residues within 4Å: Chain C: G.121, V.122, L.123, N.138, E.142, Y.144, N.154, W.156 4 PLIP interactions: 4 interactions with chain C Hydrogen bonds: C:V.122, C:N.138, C:E.142 Water bridges: C:Y.144 6YR.24: 6 residues within 4Å: Chain C: G.161, A.162, L.163, N.178, Y.184, W.194 4 PLIP interactions: 4 interactions with chain C Hydrogen bonds: C:A.162, C:N.178, C:Y.184 Water bridges: C:A.162 6YR.29: 6 residues within 4Å: Chain D: G.8, S.9, L.10, N.25, Y.31, W.41 5 PLIP interactions: 5 interactions with chain D Hydrogen bonds: D:S.9, D:N.25, D:Y.31 Water bridges: D:S.9, D:S.9 6YR.30: 6 residues within 4Å: Chain D: G.46, A.47, L.48, N.63, Y.69, W.78 4 PLIP interactions: 4 interactions with chain D Hydrogen bonds: D:A.47, D:N.63, D:Y.69 Water bridges: D:A.47 6YR.31: 6 residues within 4Å: Chain D: G.83, A.84, L.85, N.100, Y.106, W.116 4 PLIP interactions: 4 interactions with chain D Hydrogen bonds: D:A.84, D:N.100, D:Y.106 Water bridges: D:A.84 6YR.32: 8 residues within 4Å: Chain D: G.121, V.122, L.123, N.138, E.142, Y.144, N.154, W.156 5 PLIP interactions: 5 interactions with chain D Hydrogen bonds: D:V.122, D:N.138, D:E.142, D:Y.144 Water bridges: D:V.122 6YR.33: 6 residues within 4Å: Chain D: G.161, A.162, L.163, N.178, Y.184, W.194 4 PLIP interactions: 4 interactions with chain D Hydrogen bonds: D:A.162, D:N.178, D:Y.184 Water bridges: D:A.162 6YR.34: 6 residues within 4Å: Chain D: W.3, G.199, S.200, L.201, N.216, Y.222 5 PLIP interactions: 5 interactions with chain D Hydrogen bonds: D:S.200, D:N.216, D:Y.222 Water bridges: D:S.200, D:S.200

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

SO4.7: 2 residues within 4Å: Chain A: K.86, R.87 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:K.86 Water bridges: A:T.49 Salt bridges: A:K.86, A:R.87 SO4.9: 5 residues within 4Å: Chain A: N.216, G.218, G.219, G.220, Y.222 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:G.218, A:G.220, A:Y.222 Water bridges: A:N.216, A:N.216, A:G.218 SO4.16: 2 residues within 4Å: Chain B: K.86, R.87 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:K.86 Water bridges: B:T.49 Salt bridges: B:K.86, B:R.87 SO4.18: 5 residues within 4Å: Chain B: N.216, G.218, G.219, G.220, Y.222 6 PLIP interactions: 6 interactions with chain B Hydrogen bonds: B:G.218, B:G.220, B:Y.222 Water bridges: B:N.216, B:N.216, B:G.218 SO4.25: 2 residues within 4Å: Chain C: K.86, R.87 4 PLIP interactions: 4 interactions with chain C Hydrogen bonds: C:K.86 Water bridges: C:T.49 Salt bridges: C:K.86, C:R.87 SO4.27: 5 residues within 4Å: Chain C: N.216, G.218, G.219, G.220, Y.222 6 PLIP interactions: 6 interactions with chain C Hydrogen bonds: C:G.218, C:G.220, C:Y.222 Water bridges: C:N.216, C:N.216, C:G.218

3 x BO3: BORIC ACID(Non-covalent)

BO3.8: 1 residues within 4Å: Chain A: P.2 1 PLIP interactions: 1 interactions with chain B Water bridges: B:A.38 BO3.17: 1 residues within 4Å: Chain B: P.2 1 PLIP interactions: 1 interactions with chain C Water bridges: C:A.38 BO3.26: 1 residues within 4Å: Chain C: P.2 1 PLIP interactions: 1 interactions with chain A Water bridges: A:A.38

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Sommer, R. et al., Crystal Structures of Fungal Tectonin in Complex with O-Methylated Glycans Suggest Key Role in Innate Immune Defense. Structure (2018)

Release Date

2017-03-29

Peptides

TECTONIN 2: ABCD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

C
A

D
B

TECTONIN 2

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