SMTL ID : 1uh1.1 (3 other biounits)

Crystal structure of jacalin- GalNAc-beta(1-3)-Gal-alpha-O-Me complex

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.80 Å

Oligo State

hetero-4-4-mer

Ligands

2 x AMG- NGA: 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-methyl alpha-D-galactopyranoside(Non-covalent)

AMG-NGA.1: 7 residues within 4Å: Chain C: G.1, Y.78, V.80, G.121, Y.122, W.123, D.125 2 PLIP interactions: 2 interactions with chain C Hydrogen bonds: C:G.1, C:G.1, C:G.121, C:Y.122, C:W.123, C:W.123, C:G.1 Water bridges: C:V.79 AMG-NGA.3: 7 residues within 4Å: Chain G: G.1, Y.78, V.80, G.121, Y.122, W.123, D.125 2 PLIP interactions: 2 interactions with chain G Hydrogen bonds: G:G.1, G:G.1, G:G.121, G:Y.122, G:W.123, G:W.123, G:G.1 Water bridges: G:V.79

2 x MGC: methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside(Non-covalent)

MGC.2: 8 residues within 4Å: Chain A: G.1, F.47, Y.78, V.80, G.121, Y.122, W.123, D.125 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:G.1, A:G.121, A:Y.122, A:W.123, A:D.125 MGC.4: 8 residues within 4Å: Chain E: G.1, F.47, Y.78, V.80, G.121, Y.122, W.123, D.125 5 PLIP interactions: 5 interactions with chain E Hydrogen bonds: E:G.1, E:G.121, E:Y.122, E:W.123, E:D.125

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Jeyaprakash, A.A. et al., Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study. J.MOL.BIOL. (2003)

Release Date

2003-09-23

Peptides

Agglutinin alpha chain: ACEG
Agglutinin beta-3 chain: BDFH

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

C
C

E
A

G
C

B
B

D
D

F
B

H
D

Agglutinin alpha chain

Agglutinin beta-3 chain

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