SMTL ID : 7qe4.1 (1 other biounit)

B-trefoil lectin from Salpingoeca rosetta in complex with GalNAc

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.70 Å

Oligo State

monomer

Ligands

3 x A2G: 2-acetamido-2-deoxy-alpha-D-galactopyranose(Non-covalent)

A2G.1: 11 residues within 4Å: Chain A: H.53, P.54, H.55, G.56, G.57, V.68, H.70, G.72, R.77, L.80, N.161 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:H.53, A:P.54, A:G.56, A:R.77, A:R.77 Water bridges: A:H.70 Salt bridges: A:H.70 A2G.2: 11 residues within 4Å: Chain A: D.64, H.104, P.105, K.106, G.107, G.108, V.117, H.119, S.121, R.124 Ligands: NGA.4 11 PLIP interactions: 11 interactions with chain A Hydrogen bonds: A:H.104, A:P.105, A:G.107, A:S.121, A:S.121, A:R.124, A:R.124 Water bridges: A:K.106, A:H.119, A:H.119 Salt bridges: A:H.119 A2G.3: 9 residues within 4Å: Chain A: E.113, H.150, P.151, H.152, G.153, G.154, V.165, Y.167, R.171 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:E.113, A:H.150, A:H.152, A:G.153, A:R.171, A:R.171 Water bridges: A:S.168

1 x NGA: 2-acetamido-2-deoxy-beta-D-galactopyranose(Non-covalent)

NGA.4: 11 residues within 4Å: Chain A: D.64, H.104, P.105, K.106, G.107, G.108, V.117, H.119, S.121, R.124 Ligands: A2G.2 8 PLIP interactions: 8 interactions with chain A Hydrogen bonds: A:H.104, A:P.105, A:G.107, A:S.121, A:S.121, A:R.124, A:R.124 Water bridges: A:K.106

1 x CL: CHLORIDE ION(Non-functional Binders)

CL.5: 3 residues within 4Å: Chain A: R.171, P.172, S.173 Ligand excluded by PLIP

Links

RCSB   PDBe   PDBe-KB   PDBj   PDBsum   CATH   PLIP

Citation

Notova, S. et al., The choanoflagellate pore-forming lectin SaroL-1 punches holes in cancer cells by targeting the tumor-related glycosphingolipid Gb3. Commun Biol (2022)

Release Date

2022-09-14

Peptides

Sarol-1: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
AAA

Sarol-1

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