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Receptor Information

>3sbk Chain A (length=234) Species: 343250 (Daboia siamensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

VVGGDECNINEHPFLVALYTSASSTIHCAGALINREWVLTAAHCDRRNIR
IKLGMHSKNIRNEDEQIRVPRGKYFCLNTKFPNGLDKDIMLIRLRRPVTY
STHIAPVSLPSRSRGVGSRCRIMGWGKISTTTYPDVPHCTNIFIVKHKWC
EPLYPWVPADSRTLCAGILKGGRDTCHGDSGGPLICNGEMHGIVAGGSEP
CGQHLKPAVYTKVFDYNNWIQSIIAGNRTVTCPP

Ligand ID

0G6

InChI

InChI=1S/C21H33ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-18,29H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/p+1/t15-,16+,17+,18-/m1/s1

InChIKey

DVFLYEYCMMLBTQ-VSZNYVQBSA-O

SMILES

Software	SMILES
ACDLabs 12.01	O=C(NC(CCCNC(=[NH2+])\N)C(O)CCl)C2N(C(=O)C(N)Cc1ccccc1)CCC2
CACTVS 3.370	N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)N[CH](CCCNC(N)=[NH2+])[CH](O)CCl
CACTVS 3.370	N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=[NH2+])[C@H](O)CCl
OpenEye OEToolkits 1.7.6	c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NC(CCCNC(=[NH2+])N)C(CCl)O)N
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O)N

Formula

C21 H34 Cl N6 O3

Name

D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide;
PPACK

PDB chain

3sbk Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3sbk Structural basis of coagulation factor V recognition for cleavage by RVV-V
Resolution	2.55 Å
Binding residue (original residue number in PDB)	H57 Y172 D189 T190 C191 S195 A214 G215 G216 S217 E218
Binding residue (residue number reindexed from 1)	H43 Y154 D174 T175 C176 S180 A195 G196 G197 S198 E199
Annotation score	1

Catalytic site (original residue number in PDB)	H57 D102 H192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1)	H43 D88 H177 G178 D179 S180 G181
Enzyme Commision number	3.4.21.95: snake venom factor V activator.

	Molecular Function
GO:0004252	serine-type endopeptidase activity
GO:0008236	serine-type peptidase activity
GO:0090729	toxin activity

	Biological Process
GO:0006508	proteolysis
GO:0035821	modulation of process of another organism

	Cellular Component
GO:0005576	extracellular region
GO:0005615	extracellular space

PDB	RCSB:3sbk, PDBe:3sbk, PDBj:3sbk
PDBsum	3sbk
PubMed	21871889
UniProt	P18965\|VSPG_DABSI Factor V activator RVV-V gamma

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Structure of PDB 3sbk Chain A Binding Site BS01