Structure of PDB 4zkt Chain C Binding Site BS01

Receptor Information
>4zkt Chain C (length=1235) Species: 508767 (Clostridium botulinum E3 str. Alaska E43) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKINSFNYNDPVNDRTILYIKPEFYKSFNIMKNIWIIPERNVIGTTPQDF
HPPTSLKNGDSSYYDPNYLQSDEEKDRFLKIVTKIFNRINNNLSGGILLE
ELSKANPYLGNDNTPDNQFHIGDASAVEIKFSNGSQHILLPNVIIMGAEP
DLFETNSSNISLRNNYMPSNHGFGSIAIVTFSPEYSFRFNDNSINEFIQD
PALTLMHELIHSLHGLYGAKGITTTCIITQQQNPLITNRKGINIEEFLTF
GGNDLNIITVAQYNDIYTNLLNDYRKIASKLSKVQVSNPQLNPYKDIFQE
KYGLDKDASGIYSVNINKFDDILKKLYSFTEFDLATKFQVKCRETYIGQY
KYFKLSNLLNDSIYNISEGYNINNLKVNFRGQNANLNPRIIKPITGRGLV
KKIIRFCKNIVSVKGIRKSICIEINNGELFFVASENSYNDDNINTPKEID
DNNYENDLDQVILNFNAPGLSDEKLNLTIQNDAYIPKYDSNGTSDIEQHD
VNELNVFFYLDAQKVPEGENNVNLTSSIDTALLEQPKIYTFFSSEFINNV
NKPVQAALFVSWIQQVLVDFTTEANQKSTVDKIADISIVVPYIGLALNIG
NEAQKGNFKDALELLGAGILLEFEPELLIPTILVFTIKSFLGSSDNKNKV
IKAINNALKERDEKWKEVYSFIVSNWMTKINTQFNKRKEQMYQALQNQVN
AIKTIIESKYNSYTLEEKNELTNKYDIKQIENELNQKVSIAMNNIDRFLT
ESSISYLMKLINEVKINKLREYDENVKTYLLNYIIQHGSILGESQQELNS
MVTDTLNNSIPFKLSSYTDDKILISYFNKFFKRIKSSSVLNMRYKNDKYV
DTSGYDSNININGDVYKYPTNKNQFGIYNDKLSEVNISQNDYIIYDNKYK
NFSISFWVRIPNYDNKIVNVNNEYTIINCMRDNNSGWKVSLNHNEIIWTL
QDNAGINQKLAFNYGNANGISDYINKWIFVTITNDRLGDSKLYINGNLID
QKSILNLGNIHVSDNILFKIVNCSYTRYIGIRYFNIFDKELDETEIQTLY
SNEPNTNILKDFWGNYLLYDKEYYLLNVLKPNNFIDRRKDSTLSINNIRS
TILLANRLYSGIKVKIQRVNNSSTNDNLVRKNDQVYINFVASKTHLFPLY
ADTATTNKEKTIKISSSGNRFNQVVVMNSCTMNFKNNNGNNIGLLGFKAD
TVVASTWYYTHMRDHTNSNGCFWNFISEEHGWQEK
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 chain4zkt Chain C Residue 1301 [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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PDB4zkt Molecular Assembly of Clostridium botulinum progenitor M complex of type E.
Resolution3.05 Å
Binding residue
(original residue number in PDB)		H212 E213 H216 E251
Binding residue
(residue number reindexed from 1)		H207 E208 H211 E246
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H212 E213 H216 E251 R348
Catalytic site (residue number reindexed from 1) H207 E208 H211 E246 R343
Enzyme Commision number 3.4.24.69: bontoxilysin.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0008320 protein transmembrane transporter activity
GO:0046872 metal ion binding
GO:0090729 toxin activity
Biological Process
GO:0006508 proteolysis
GO:0035821 modulation of process of another organism
GO:0071806 protein transmembrane transport
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4zkt, PDBe:4zkt, PDBj:4zkt
PDBsum4zkt
PubMed26639353
UniProtA0A0X1KH89

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