SMTL ID : 3m3o.1

Crystal Structure of Agrocybe aegerita lectin AAL mutant R85A complexed with p-Nitrophenyl TF disaccharide

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.10 Å

Oligo State

homo-dimer

Ligands

2 x A2G- GAL: beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose(Non-covalent)

A2G-GAL.1: 8 residues within 4Å: Chain A: P.42, N.43, H.59, R.63, N.72, W.80, E.83 Ligands: NPO.2 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:R.63, A:R.63, A:N.43, A:R.63, A:N.72 A2G-GAL.4: 8 residues within 4Å: Chain B: P.42, N.43, H.59, R.63, N.72, W.80, E.83 Ligands: NPO.5 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:R.63, B:R.63, B:N.43, B:R.63, B:N.72, B:E.83

2 x NPO: P-NITROPHENOL(Non-functional Binders)

NPO.2: 1 residues within 4Å: Ligands: A2G-GAL.1 No protein-ligand interaction detected (PLIP) NPO.5: 1 residues within 4Å: Ligands: A2G-GAL.4 No protein-ligand interaction detected (PLIP)

2 x BTB: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL(Non-covalent)

BTB.3: 4 residues within 4Å: Chain A: S.13, V.14, D.15, S.133 2 PLIP interactions: 2 interactions with chain A Water bridges: A:S.133 Salt bridges: A:D.15 BTB.6: 4 residues within 4Å: Chain B: S.13, V.14, D.15, S.133 2 PLIP interactions: 2 interactions with chain B Water bridges: B:S.133 Salt bridges: B:D.15

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Feng, L. et al., Structural insights into the recognition mechanism between an antitumor galectin AAL and the Thomsen-Friedenreich antigen. Faseb J. (2010)

Release Date

2010-12-01

Peptides

Anti-tumor lectin: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

Anti-tumor lectin