SMTL ID : 5bqu.1

Crystal structure of HA17-HA33-Lactulose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.38 Å

Oligo State

hetero-2-1-mer

Ligands

2 x FRU- GAL: beta-D-galactopyranose-(1-4)-beta-D-fructofuranose(Non-functional Binders)(Non-covalent)

FRU-GAL.1: 6 residues within 4Å: Chain A: D.262, L.263, Y.264, Q.275, F.277, N.284 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:D.262, A:Q.275, A:N.284, A:N.284 FRU-GAL.2: 8 residues within 4Å: Chain B: D.262, L.263, Y.264, G.265, Q.275, F.277, H.280, N.284 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:D.262, B:G.265, B:Q.275, B:H.280

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Lee, K. et al., Inhibiting oral intoxication of botulinum neurotoxin A complex by carbohydrate receptor mimics. Toxicon (2015)

Release Date

2015-10-14

Peptides

HA-33: AB
HA-17: C

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
B

B
A

C
C

HA-33

HA-17

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