SMTL ID : 3m3c.1

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

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.00 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: 9 residues within 4Å: Chain A: P.43, N.44, H.60, R.64, N.73, W.81, E.84, R.86 Ligands: NPO.3 4 PLIP interactions: 4 interactions with chain A Hydrophobic interactions: A:P.43 Hydrogen bonds: A:R.64, A:R.64, A:R.86, A:N.44, A:R.64, A:N.73, A:E.84 Water bridges: A:E.67 A2G-GAL.2: 10 residues within 4Å: Chain B: P.43, N.44, H.60, R.64, N.73, W.81, E.84, R.86 Ligands: NPO.4, SO4.5 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:R.64, B:R.64, B:R.86, B:N.44, B:R.64, B:N.73

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

NPO.3: 1 residues within 4Å: Ligands: A2G-GAL.1 No protein-ligand interaction detected (PLIP) NPO.4: 1 residues within 4Å: Ligands: A2G-GAL.2 No protein-ligand interaction detected (PLIP)

1 x SO4: SULFATE ION(Non-covalent)

SO4.5: 4 residues within 4Å: Chain B: G.41, P.43, E.67 Ligands: A2G-GAL.2 2 PLIP interactions: 2 interactions with chain B Water bridges: B:G.41, B:G.41

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
B

Anti-tumor lectin

Related Entries With Identical Sequence