SMTL ID : 5bp5.1

Crystal structure of HA17-HA33-IPT

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.18 Å

Oligo State

hetero-2-1-mer

Ligands

2 x IPT: 1-methylethyl 1-thio-beta-D-galactopyranoside(Non-covalent)

IPT.1: 8 residues within 4Å: Chain A: D.262, L.263, Y.264, G.265, Q.275, F.277, H.280, N.284 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:D.262, A:G.265, A:Q.275, A:Q.275, A:H.280, A:N.284 IPT.2: 6 residues within 4Å: Chain C: D.262, L.263, G.265, Q.275, F.277, N.284 5 PLIP interactions: 5 interactions with chain C Hydrogen bonds: C:D.262, C:G.265, C:Q.275, C:N.284, C:N.284

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

2015-09-02

Peptides

HA-33: AC
HA-17: B

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

C
B

B
C

HA-33

HA-17

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