Structure of PDB 1i1e Chain A

Receptor sequence
>1i1eA (length=1287) Species: 1491 (Clostridium botulinum) [Search protein sequence]
PVTINNFNYNDPIDNNNIIMMEPPFARGTGRYYKAFKITDRIWIIPERYT
FGYKPEDFNKSSGIFNRDVCEYYDPDYLNTNDKKNIFLQTMIKLFNRIKS
KPLGEKLLEMIINGIPYLGDRRVPLEEFNTNIASVTVNKLISNPGEVERK
KGIFANLIIFGPGPVLNENETIDIGIQNHFASREGFGGIMQMKFCPEYVS
VFNNVQENKGASIFNRRGYFSDPALILMHELIHVLHGLYGIKVDDLPIVP
NEKKFFMQSTDAIQAEELYTFGGQDPSIITPSTDKSIYDKVLQNFRGIVD
RLNKVLVCISDPNININIYKNKFKDKYKFVEDSEGKYSIDVESFDKLYKS
LMFGFTETNIAENYKIKTRASYFSDSLPPVKIKNLLDNEIYTIEEGFNIS
DKDMEKEYRGQNKAINKQAYEEISKEHLAVYKIQMCKSVGICIDVDNEDL
FFIADKNSFSDDLSKNERIEYNTQSNYIENDFPINELILDTDLISKIELP
SENTESLTDFNVDVPVYEKQPAIKKIFTDENTIFQYLYSQTFPLDIRDIS
LTSSFDDALLFSNKVYSFFSMDYIKTANKVVEAGLFAGWVKQIVNDFVIE
ANKSNTMDKIADISLIVPYIGLALNVGNETAKGNFENAFEIAGASILLEF
IPELLIPVVGAFLLESYIDNKNKIIKTIDNALTKRNEKWSDMYGLIVAQW
LSTVNTQFYTIKEGMYKALNYQAQALEEIIKYRYNIYSEKEKSNINIDFN
DINSKLNEGINQAIDNINNFINGCSVSYLMKKMIPLAVEKLLDFDNTLKK
NLLNYIDENKLYLIGSAEYEKSKVNKYLKTIMPFDLSIYTNDTILIEMFN
KYNSEILNNIILNLRYKDNNLIDLSGYGAKVEVYDGVELNDKNQFKLTSS
ANSKIRVTQNQNIIFNSVFLDFSVSFWIRIPKYKNDGIQNYIHNEYTIIN
CMKNNSGWKISIRGNRIIWTLIDINGKTKSVFFEYNIREDISEYINRWFF
VTITNNLNNAKIYINGKLESNTDIKDIREVIANGEIIFKLDGDIDRTQFI
WMKYFSIFNTELSQSNIEERYKIQSYSEYLKDFWGNPLMYNKEYYMFNAG
NKNSYIKLKKDSPVGEILTRSKYNQNSKYINYRDLYIGEKFIIRRKSNSQ
SINDDIVRKEDYIYLDFFNLNQEWRVYTYKYFKKEEEKLFLAPISDSDEF
YNTIQIKEYDEQPTYSCQLLFKKDEESTDEIGLIGIHRFYESGIVFEEYK
DYFCISKWYLKEVKRKPYNLKLGCNWQFIPKDEGWTE
3D structure
PDB1i1e Crystallographic evidence for doxorubicin binding to the receptor-binding site in Clostridium botulinum neurotoxin B.
ChainA
Resolution2.5 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H229 E230 H233 E267 R369
Catalytic site (residue number reindexed from 1) H229 E230 H233 E267 R369
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 DM2 A E1188 E1189 G1238 I1239 H1240 R1241 C1257 S1259 W1261 Y1262 E1185 E1186 G1235 I1236 H1237 R1238 C1254 S1256 W1258 Y1259 MOAD: Kd=9.4uM
PDBbind-CN: -logKd/Ki=5.03,Kd=9.4uM
BS02 ZN A H229 H233 E267 H229 H233 E267
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0005515 protein binding
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0008289 lipid 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
GO:0016020 membrane
GO:0020002 host cell plasma membrane
GO:0030430 host cell cytoplasm
GO:0044161 host cell cytoplasmic vesicle
GO:0044164 host cell cytosol
GO:0044221 host cell synapse
GO:0044231 host cell presynaptic membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1i1e, PDBe:1i1e, PDBj:1i1e
PDBsum1i1e
PubMed11679763
UniProtP10844|BXB_CLOBO Botulinum neurotoxin type B (Gene Name=botB)

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