SMTL ID : 1ws5.1

Crystal structure of Jacalin-Me-alpha-Mannose complex: Promiscuity vs Specificity

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.90 Å

Oligo State

hetero-2-4-2-mer

Ligands

4 x MMA: methyl alpha-D-mannopyranoside(Non-covalent)

MMA.1: 7 residues within 4Å: Chain A: G.1, F.47, Y.78, G.121, Y.122, W.123, D.125 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:G.1, A:G.1, A:G.121, A:Y.122, A:W.123, A:W.123 Water bridges: A:D.125 MMA.2: 7 residues within 4Å: Chain C: G.1, F.47, Y.78, G.121, Y.122, W.123, D.125 8 PLIP interactions: 8 interactions with chain C Hydrogen bonds: C:G.1, C:G.1, C:G.121, C:Y.122, C:W.123, C:W.123 Water bridges: C:G.1, C:D.125 MMA.3: 7 residues within 4Å: Chain E: G.1, F.47, Y.78, G.121, Y.122, W.123, D.125 7 PLIP interactions: 7 interactions with chain E Hydrogen bonds: E:G.1, E:G.121, E:Y.122, E:W.123, E:W.123 Water bridges: E:G.1, E:D.125 MMA.4: 8 residues within 4Å: Chain G: G.1, F.47, 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 for the energetics of jacalin-sugar interactions: promiscuity versus specificity. J.Mol.Biol. (2005)

Release Date

2005-03-29

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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