Structure of PDB 5v8u Chain A

Receptor sequence
>5v8uA (length=389) Species: 1491 (Clostridium botulinum) [Search protein sequence]
SSGLVPRGSHMQFVNKQFNYKDPVNGVDIAYIKIPNQMQPVKAFKIHNKI
WVIPERDTFTNPEEGDLNPPVSYYDSTYLSTDNEKDNYLKGVTKLFERIY
STDLGRMLLTSIVRGIPFWGGSTIDTELKVIDTNCINVIQPDGSYRSEEL
NLVIIGPSADIIQFECKSFGHEVLNLTRNGYGSTQYIRFSPDFTFGFEES
LAGKFATDPAVTLAHELIHAGHRLYGIAINPNRVFEVSFEELRTFGGHDA
KFIDSLQENEFRLYYYNKFKDIASTLNKAKSIVGSLQYMKNVFKEKYLLS
EDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFFKVLNRKTYLKAVFKIN
IVPKVNYTIYDGFNLRNTNLAANFNGQNTEINNMNFTKL
3D structure
PDB5v8u Small molecule metalloprotease inhibitor with in vitro, ex vivo and in vivo efficacy against botulinum neurotoxin serotype A.
ChainA
Resolution2.05 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H223 E224 H227 E262 R363
Catalytic site (residue number reindexed from 1) H215 E216 H219 E241 R339
Enzyme Commision number 3.4.24.69: bontoxilysin.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 ZN A H223 H227 E262 H215 H219 E241
BS02 90M A I161 F163 F194 T220 E224 H227 E262 Y366 I162 F164 F195 T212 E216 H219 E241 Y342
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:5v8u, PDBe:5v8u, PDBj:5v8u
PDBsum5v8u
PubMed28698055
UniProtP0DPI1|BXA1_CLOBH Botulinum neurotoxin type A (Gene Name=botA)

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