Structure of PDB 1g9c Chain A

Receptor sequence
>1g9cA (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
PDB1g9c A Novel Mechanism for Clostridium botulinum Neurotoxin Inhibition
ChainA
Resolution2.35 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
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 ZN A H229 H233 H229 H233
BS02 BAB A D68 Q258 R369 Y372 F373 S374 D375 S376 E451 F455 T709 Q710 T713 D68 Q258 R369 Y372 F373 S374 D375 S376 E448 F452 T706 Q707 T710 MOAD: ic50~7.5uM
PDBbind-CN: -logKd/Ki=5.30,IC50=5uM
BS03 BAB A N203 R217 D375 L377 D452 F537 L540 E716 K720 N203 R217 D375 L377 D449 F534 L537 E713 K717 MOAD: ic50~7.5uM
PDBbind-CN: -logKd/Ki=5.30,IC50=5uM
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1g9c, PDBe:1g9c, PDBj:1g9c
PDBsum1g9c
PubMed12146945
UniProtP10844|BXB_CLOBO Botulinum neurotoxin type B (Gene Name=botB)

[Back to BioLiP]