SMTL ID : 1jlx.1

AGGLUTININ IN COMPLEX WITH T-DISACCHARIDE

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.20 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: 11 residues within 4Å: Chain A: N.74, H.75, Y.76, W.77, V.126, F.130, F.135 Chain B: Q.262, K.263, T.264 Ligands: MBN.4 8 PLIP interactions: 4 interactions with chain A, 4 interactions with chain B Hydrophobic interactions: A:Y.76 Hydrogen bonds: A:Y.76, A:N.74, A:N.74, B:Q.262, B:K.263 Water bridges: A:N.74, A:H.75, B:M.261, B:T.264 A2G-GAL.2: 12 residues within 4Å: Chain A: M.261, Q.262, K.263, T.264 Chain B: N.74, H.75, Y.76, W.77, V.126, F.130, F.135 Ligands: MBN.6 5 PLIP interactions: 2 interactions with chain B, 3 interactions with chain A Hydrophobic interactions: B:Y.76 Hydrogen bonds: B:H.75, B:Y.76, A:M.261, A:Q.262, A:K.263, B:N.74, B:N.74

2 x FOR: FORMYL GROUP(Covalent)

FOR.3: 4 residues within 4Å: Chain A: A.1, G.2, L.3, V.57 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:L.3 FOR.5: 4 residues within 4Å: Chain B: A.1, G.2, L.3, V.57 1 PLIP interactions: 1 interactions with chain B Hydrogen bonds: B:L.3

2 x MBN: TOLUENE(Non-covalent)

MBN.4: 3 residues within 4Å: Chain A: Y.124, F.135 Ligands: A2G-GAL.1 1 PLIP interactions: 1 interactions with chain A pi-Stacking: A:F.135 MBN.6: 3 residues within 4Å: Chain B: Y.124, F.135 Ligands: A2G-GAL.2 1 PLIP interactions: 1 interactions with chain B pi-Stacking: B:F.135

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Transue, T.R. et al., Structure of benzyl T-antigen disaccharide bound to Amaranthus caudatus agglutinin. Nat.Struct.Biol. (1997)

Release Date

1997-12-03

Peptides

AGGLUTININ: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

AGGLUTININ