Structure of PDB 3fii Chain A

Receptor sequence

>3fiiA (length=403) Species: 1491 (Clostridium botulinum)

PVVINSFNYNDPVNDDTILYMQIPYEEKSKKYYKAFEIMRNVWIIPERNT
IGTDPSDFDPPASLENGSSAYYDPNYLTTDAEKDRYLKTTIKLFKRINSN
PAGEVLLQEISYAKPYLGNEHTPINEFHPVTRTTSVNIKSSTNVKSSIIL
NLLVLGAGPDIFENSSYPVRKLMDSGGVYDPSNDGFGSINIVTFSPEYEY
TFNDTESFIADPAISLAHELIHALHGLYGARGVTYKETIKVKQAPLMIAE
KPIRLEEFLTFGGQDLNIITSAMKEKIYNNLLANYEKIATRLSRVNSAPP
EYDINEYKDYFQWKYGLDKNADGSYTVNENKFNEIYKKLYSFTEIDLANK
FKVKCRNTYFIKYGFLKVPNLLDDDIYTVSEGFNIGNLAVNNRGQNIKLN
PKI

3D structure

• PDB: 3fii Mode of VAMP substrate recognition and inhibition of Clostridium botulinum neurotoxin F.
• Chain: A
• Resolution: 2.17 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H227 E228 H231 E266 R365
• Catalytic site (residue number reindexed from 1): H218 E219 H222 E257 R356
• 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	peptide	A	Y26 K29 V131 T132 R133 N138 K146 S147 S148 E164 N165 S166 S167 Y168 R171 L173 V179 H227 E228 H231 R240 Y244 E266 E310 Y311 Y316 Y368	Y25 K28 V130 T131 R132 N137 K145 S146 S147 E163 N164 S165 S166 Y167 R170 L172 V178 H218 E219 H222 R231 Y235 E257 E301 Y302 Y307 Y359
BS02	ZN	A	E164 N165 S166 H227 H231 E266	E163 N164 S165 H218 H222 E257

Gene Ontology

Molecular Function

• GO:0004222 metalloendopeptidase activity
• GO:0008270 zinc ion binding

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:3fii, PDBe:3fii, PDBj:3fii
• PDBsum: 3fii
• PubMed: 19543288
• UniProt: A7GBG3|BXF_CLOBL Botulinum neurotoxin type F (Gene Name=F)