SMTL ID : 1ugy.1

Crystal structure of jacalin- mellibiose (Gal-alpha(1-6)-Glc) complex

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.40 Å

Oligo State

hetero-2-4-2-mer

Ligands

2 x GLC- GLA: alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose(Non-covalent)

GLC-GLA.1: 7 residues within 4Å: Chain A: G.1, S.76, Y.78, G.121, Y.122, W.123, D.125 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:S.76 Water bridges: A:S.76 GLC-GLA.2: 7 residues within 4Å: Chain C: G.1, Y.78, V.80, G.121, Y.122, W.123, D.125 1 PLIP interactions: 1 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:Y.122 Water bridges: C:G.1, C:G.1, C:G.1

2 x BGC- GLA: alpha-D-galactopyranose-(1-6)-beta-D-glucopyranose(Non-covalent)

BGC-GLA.3: 6 residues within 4Å: Chain E: G.1, Y.78, G.121, Y.122, W.123, D.125 1 PLIP interactions: 1 interactions with chain E Hydrogen bonds: E:G.1, E:G.1, E:G.121, E:Y.122, E:W.123, E:W.123, E:Y.78 BGC-GLA.4: 7 residues within 4Å: Chain G: G.1, Y.78, V.80, G.121, Y.122, W.123, D.125 6 PLIP interactions: 6 interactions with chain G Hydrogen bonds: G:G.1, G:G.1, G:G.121, G:Y.122, G:W.123, G:W.123

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: AG
Agglutinin beta-3 chain: BDFH
Agglutinin alpha chain: CE

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

G
G

B
B

D
D

F
F

H
H

C
C

E
E

Agglutinin alpha chain

Agglutinin beta-3 chain

Agglutinin alpha chain

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