SMTL ID : 2zgm.1

Crystal structure of recombinant Agrocybe aegerita lectin,rAAL, complex with lactose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.90 Å

Oligo State

homo-dimer

Ligands

2 x BGC- GAL: beta-D-galactopyranose-(1-4)-beta-D-glucopyranose(Non-covalent)

BGC-GAL.1: 7 residues within 4Å: Chain A: N.44, H.60, R.64, N.73, W.81, E.84, R.86 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:R.64, A:R.64, A:E.84, A:R.86, A:N.44, A:N.44, A:R.64, A:N.73 Water bridges: A:R.86, A:R.86 BGC-GAL.2: 11 residues within 4Å: Chain B: P.43, N.44, H.60, A.62, R.64, I.71, N.73, W.81, E.84, R.86 Ligands: SO4.4 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:R.64, B:R.64, B:E.84, B:R.86, B:N.44, B:N.44, B:R.64, B:N.73, B:E.84

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

SO4.3: 5 residues within 4Å: Chain A: T.47, N.49, Y.57, H.60, N.138 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:T.47, A:N.49, A:Y.57, A:N.138 Water bridges: A:S.136 Salt bridges: A:H.60 SO4.4: 4 residues within 4Å: Chain B: N.44, T.47, N.138 Ligands: BGC-GAL.2 8 PLIP interactions: 8 interactions with chain B Hydrogen bonds: B:T.47, B:N.138 Water bridges: B:N.42, B:N.42, B:N.44, B:N.44, B:T.47, B:N.49

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Yang, N. et al., Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita. J.Mol.Biol. (2009)

Release Date

2009-01-20

Peptides

Anti-tumor lectin: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

Anti-tumor lectin

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