Structure of PDB 2ilp Chain B

Receptor sequence
>2ilpB (length=407) Species: 1491 (Clostridium botulinum) [Search protein sequence]
SSGLVPRGSHMQFVNKQFNYKDPVNGVDIAYIKIPGQMQPVKAFKIHNKI
WVIPERDTFTNPEEGDLNPPPVSYYDSTYLSTDNEKDNYLKGVTKLFERI
YSTDLGRMLLTSIVRGIPFWGGSTIDTELKVIDTNCINVIQPDGSYRSEE
LNLVIIGPSADIIQFECKSFGHEVLNLTRNGYGSTQYIRFSPDFTFGFEE
SLEVDTNPLLGAGKFATDPAVTLAHELIHAGHRLYGIAINPNRVFLEVSF
EELRTFGGHDAKFIDSLQENEFRLYYYNKFKDIASTLNKAKSIVGTTASL
QYMKNVFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFFKV
LNRKTYLNFDKAVFKINIVPKVNYTIYDGFNLRNTNLAANFNGQNTEINN
MNFTKLK
3D structure
PDB2ilp Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
ChainB
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) H225 E226 H229 E252 R353
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 B H223 H227 E262 H225 H229 E252
BS02 GB5 B I161 F194 H223 E224 H227 E262 Y366 F369 I163 F196 H225 E226 H229 E252 Y356 F359 MOAD: ic50=15uM
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:2ilp, PDBe:2ilp, PDBj:2ilp
PDBsum2ilp
PubMed17524984
UniProtP0DPI1|BXA1_CLOBH Botulinum neurotoxin type A (Gene Name=botA)

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