SMTL ID : 6zrw.1 (2 other biounits)

Crystal structure of the fungal lectin CML1

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.35 Å

Oligo State

homo-dimer

Ligands

5 x GOL: GLYCEROL(Non-functional Binders)

GOL.1: 7 residues within 4Å: Chain A: N.41, V.44, T.45, K.46, L.122, P.123, D.124 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:K.46, A:K.46, A:L.122 Water bridges: A:N.41, A:N.41 GOL.2: 7 residues within 4Å: Chain A: F.51, S.52, H.53, N.54, Y.55, W.93 Chain B: R.113 5 PLIP interactions: 4 interactions with chain A, 1 interactions with chain B Hydrogen bonds: A:N.54, A:Y.55, A:Y.55, B:R.113 Water bridges: A:N.54 GOL.3: 2 residues within 4Å: Chain A: S.84, S.86 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:S.84, A:W.85, A:S.86 GOL.9: 7 residues within 4Å: Chain B: N.41, V.44, T.45, K.46, L.122, P.123, D.124 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:K.46, B:K.46, B:L.122 Water bridges: B:N.41, B:N.41 GOL.10: 7 residues within 4Å: Chain A: R.113 Chain B: S.52, H.53, N.54, Y.55, W.93 Ligands: ACT.8 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:N.54, B:Y.55, B:Y.55

2 x P3C: TRICHLOROPLATINATE(Non-covalent)

P3C.4: 1 residues within 4Å: Chain A: W.93 No protein-ligand interaction detected (PLIP) P3C.5: 4 residues within 4Å: Chain A: K.18, A.36, P.38, K.115 No protein-ligand interaction detected (PLIP)

2 x K: POTASSIUM ION(Non-covalent)(Non-functional Binders)

K.6: 2 residues within 4Å: Chain A: G.6, E.8 2 PLIP interactions: 1 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:E.8, H2O.5 K.12: 0 residues within 4Å: (No contacts) No protein-ligand interaction detected (PLIP)

2 x ACT: ACETATE ION(Non-functional Binders)

ACT.7: 4 residues within 4Å: Chain A: K.46, L.126 Chain B: K.46, L.126 2 PLIP interactions: 1 interactions with chain B, 1 interactions with chain A Salt bridges: B:K.46, A:K.46 ACT.8: 5 residues within 4Å: Chain A: V.33, R.113 Chain B: H.53, N.54 Ligands: GOL.10 2 PLIP interactions: 1 interactions with chain B, 1 interactions with chain A Hydrophobic interactions: B:H.53 Salt bridges: A:R.113

1 x PC4: TETRACHLOROPLATINATE(II)(Non-covalent)

PC4.11: 3 residues within 4Å: Chain A: V.116 Chain B: H.4, W.93 No protein-ligand interaction detected (PLIP)

Links

RCSB   PDBe   PDBe-KB   PDBj   PDBsum   CATH   PLIP

Citation

Bleuler-Martinez, S. et al., Structure-function relationship of a novel fucoside-binding fruiting body lectin from Coprinopsis cinerea exhibiting nematotoxic activity. Glycobiology (2022)

Release Date

2021-07-28

Peptides

Mucin-binding lectin 1: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

Mucin-binding lectin 1

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