Structure of PDB 3ds9 Chain A Binding Site BS01

Receptor Information
>3ds9 Chain A (length=398) Species: 1491 (Clostridium botulinum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FVNKQFNYKDPVNGVDIAYIKIPNAMQPVKAFKIHNKIWVIPERDTFTNP
EEGDLNPPPEAKQVPVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTDLG
RMLLTSIVRGIPFWGGSTIDTELKVIDTNCINVIQPDGSYRSEELNLVII
GPSADIIQFECKSFGHEVLNLTRNGYGSTQYIRFSPDFTFGFEEAGKFAT
DPAVTLAHELIHAGHRLYGIAINPNRVFKVNTNASGLEVSFEELRTFGGH
DAKFIDSLQENEFRLYYYNKFKDIASTLNKAKSIVGTTASLQYMKNVFKE
KYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFFKVLNRKTYLNF
DKAVFKINIVPKVNYTIYDGFNLRNTNLAANFNGQNTEINNMNFTKLK
Ligand information
Receptor-Ligand Complex Structure
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PDB3ds9 A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has a Very Different Conformation than SNAP-25 Substrate
Resolution1.758 Å
Binding residue
(original residue number in PDB)		K66 V70 Q162 F194 H223 E224 H227 L256 E257 V258 S259 E262 Y366 L367 F369 D370
Binding residue
(residue number reindexed from 1)		K62 V66 Q158 F190 H208 E209 H212 L237 E238 V239 S240 E243 Y347 L348 F350 D351
Enzymatic activity
Catalytic site (original residue number in PDB) H223 E224 H227 E262 R363
Catalytic site (residue number reindexed from 1) H208 E209 H212 E243 R344
Enzyme Commision number 3.4.24.69: bontoxilysin.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:3ds9, PDBe:3ds9, PDBj:3ds9
PDBsum3ds9
PubMed18940613
UniProtP0DPI1|BXA1_CLOBH Botulinum neurotoxin type A (Gene Name=botA)

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