Structure of PDB 7k84 Chain A Binding Site BS01

Receptor Information
>7k84 Chain A (length=793) Species: 1491 (Clostridium botulinum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPKINSFNYNDPVNDRTILYIKPGGCQEFYKSFNIMKNIWIIPERNVIGT
TPQDFHPPTSLKNGDSSYYDPNYLQSDEEKDRFLKIVTKIFNRINNNLSG
GILLEELSKANPYLGNDNTPDNQFHIGDASAVEIKFSNGSQDILLPNVII
MGAEPDLFETNSSNISLRNNYMPSNHGFGSIAIVTFSPEYSFRFNDNSMN
EFIQDPALTLMHELIHSLHGLYGAKGITTKYTITQKQNPLITNIRGTNIE
EFLTFGGTDLNIITSAQSNDIYTNLLADYKKIASKLSKVQVSNPLLNPYK
DVFEAKYGLDKDASGIYSVNINKFNDIFKKLYSFTEFDLATKFQVKCRQT
YIGQYKYFKLSNLLNDSIYNISEGYNINNLKVNFRGQNANLNPRIITPIT
GRGLVKKIIRFCKNIVSVKGIRKSICIEINNGELFFVASENSYNDDNINT
PKEIDDTVYIPKYDSNGTSDIEQHDVNELNVFFYLDAQKVPEGENNVNLT
SSIDTALLEQPKIYTFFSSEFINNVNKPVQAALFVSWIQQVLVDFTTEAN
QKSTVDKIADISIVVPYIGLALNIGNEAQKGNFKDALELLGAGILLEFEP
ELLIPTILVFTIKSFLGSSDNKNKVIKAINNALKERDEKWKEVYSFIVSN
WMTKINTQFNKRKEQMYQALQNQVNAIKTIIESKYNSYTLEEKNELTNKY
DIKQIENELNQKVSIAMNNIDRFLTESSISYLMKLINEVKINKLREYDEN
VKTYLLNYIIQHGSILGESQQELNSMVTDTLNNSIPFKLSSYT
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7k84 Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7k84 Two VHH Antibodies Neutralize Botulinum Neurotoxin E1 by Blocking Its Membrane Translocation in Host Cells.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H212 H216 E251
Binding residue
(residue number reindexed from 1)		H212 H216 E251
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.69: bontoxilysin.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008270 zinc ion binding
GO:0008320 protein transmembrane transporter activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7k84, PDBe:7k84, PDBj:7k84
PDBsum7k84
PubMed32992561
UniProtQ00496|BXE_CLOBO Botulinum neurotoxin type E (Gene Name=botE)

[Back to BioLiP]