Structure of PDB 5v8r Chain A

Receptor sequence
>5v8rA (length=402) Species: 1491 (Clostridium botulinum) [Search protein sequence]
HHSSGLVPRGSHMQFVNKQFNYKDPVNGVDIAYIKIPNQMQPVKAFKIHN
KIWVIPERDTFTNPEEGDLNPPPVSYYDSTYLSTDNEKDNYLKGVTKLFE
RIYSTDLGRMLLTSIVRGIPFWGGSTIDTELKVIDTNCINVIQPDGSYRS
EELNLVIIGPSADIIQFECKSFGHEVLNLTRNGYGSTQYIRFSPDFTFGF
EESLEPLLGAGKFATDPAVTLAHELIHAGHRLYGIAINPNRVFKVSFEEL
RTFGGHDAKFIDSLQENEFRLYYYNKFKDIASTLNKAKSIVGASLQYMKN
VFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFFKVLNRKT
YLNDKAVFKINIVPKVNYTIYDGFNLRNTNLAANFNGQNTEINNMNFTKL
KN
3D structure
PDB5v8r Small molecule metalloprotease inhibitor with in vitro, ex vivo and in vivo efficacy against botulinum neurotoxin serotype A.
ChainA
Resolution1.9 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) H223 E224 H227 E249 R348
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 H223 H227 E249
BS02 90J A I161 Q162 F163 F194 T220 H223 E224 E262 R363 Y366 I165 Q166 F167 F198 T220 H223 E224 E249 R348 Y351
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:5v8r, PDBe:5v8r, PDBj:5v8r
PDBsum5v8r
PubMed28698055
UniProtP0DPI1|BXA1_CLOBH Botulinum neurotoxin type A (Gene Name=botA)

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