SMTL ID : 5j4t.1 (1 other biounit)

Structure of tetrameric jacalin complexed with GlcNAc beta-(1,3) Gal-beta-OMe

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.94 Å

Oligo State

hetero-2-2-mer

Ligands

1 x MBG- NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-methyl beta-D-galactopyranoside(Non-functional Binders)

MBG-NAG.1: 9 residues within 4Å: Chain A: G.1, F.47, Y.78, V.80, G.121, Y.122, W.123, D.125 Chain B: A.16 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:G.1, A:G.1, A:G.121, A:Y.122, A:W.123, A:W.123, A:G.1 Water bridges: A:D.125, A:D.125

3 x EDO: 1,2-ETHANEDIOL(Non-functional Binders)(Non-covalent)

EDO.2: 3 residues within 4Å: Chain A: T.52, P.53, V.54 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:P.53 EDO.3: 4 residues within 4Å: Chain A: Y.64, N.110, G.111, L.112 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:N.110, A:G.111 EDO.4: 2 residues within 4Å: Chain A: D.59, S.62 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:S.62 Water bridges: A:S.62

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Abhinav, K.V. et al., Distortion of the ligand molecule as a strategy for modulating binding affinity: Further studies involving complexes of jacalin with beta-substituted disaccharides. IUBMB Life (2017)

Release Date

2017-02-08

Peptides

Agglutinin alpha chain: AC
Agglutinin beta-3 chain: BD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

C
C

B
B

D
D

Agglutinin alpha chain

Agglutinin beta-3 chain

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