Structure of PDB 4ouj Chain B Binding Site BS01

Receptor Information
>4ouj Chain B (length=281) Species: 498213 (Clostridium botulinum B1 str. Okra) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LNDKIVTISCKANTDLFFYQVPGNGNVSLFQQTRNYLERWRIIYDSNKAA
YKIKSMNIYNTNLVLTWNAPTHNISAQQDSNADNQYWLLLKDIGNNSFII
ASYKNPNLVLYADTVARNLKLSTLNNSSYIKFIIEDYVISDFKNFTCRIS
PILAGGKVVQQVSMTNLAVNLYIWNNDLNQKWTIIYNEEKAAYQFFNKIL
SNGVLTWIFSDGNTVRVSSSAQNNDAQYWLINPVSDRYTITNLRDKTKVL
DLYGGQTADGTTIQVFNSNGGDNQKWNIRNP
Ligand information
Ligand IDGAL
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain4ouj Chain D Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4ouj High-resolution crystal structure of HA33 of botulinum neurotoxin type B progenitor toxin complex.
Resolution1.46 Å
Binding residue
(original residue number in PDB)		D264 Y266 G267 Q277 F279 N286
Binding residue
(residue number reindexed from 1)		D251 Y253 G254 Q264 F266 N273
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links