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Receptor Information

>6a95 Chain A (length=1307) Species: 6978 (Periplaneta americana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DKGRGANKDRDGSAHPDQALEQGSRLPARMRNIFPAELASTPLEDFDPFY
KNKKTFVVVTKAGDIFRFSGEKSLWMLDPFTPIRRVAISTMVQPIFSYFI
MITILIHCIFMIMPATQTTYILELVFLSIYTIEVVVKVLARGFILHPFAY
LRDPWNWLDFLVTLIGYITLVVDLGHLYALRAFRVLRSWRTVTIVPGWRT
IVDALSLSITSLKDLVLLLLFSLFVFAVLGLQIYMGVLTQKCVKHFPADG
SWGNFTDERWFNYTSNSSHWYIPDDWIEYPLCGNSSGAGMCPPGYTCLQG
YGGNPNYGYTSFDTFGWAFLSVFRLVTLDYWEDLYQLALRSAGPWHILFF
IIVVFYGTFCFLNFILAVVVMSYTHMVKRADEEKAAEREQGAIGAVVLSP
FFELFIAVIIVLNITFMALDHHDMNIEFERILRTGNYIFTSIYIVEAVLK
IIALSPKFYFKDSWNVFDFIIVVFAILELGLEGVQGLSVFRSFRLLRVFR
LAKFWPTLNNFMSVMTKSYGAFVNVMYVMFLLLFIFAIIGMQLFGMNYID
NMERFPDGDLPRWNFTDFLHSFMIVFRALCGEWIESMWDCMLVGDWSCIP
FFVAVFFVGNLVILNLLIALLLNNYRMWSNIRRVCFLLAKNKYFQKFVTA
VLVITSVLLALEDIYLPQRPVLVNITLYVDYVLTAFFVIEMIIMLFAVGF
KKYFTSKWYWLDFIVVVAYLLNFVLMCAGIEALQTLRLLRVFRLFRPLSK
VNGMQVVTSTLVEAVPHIFNVILVGIFFWLVFAIMGVQLFAGKFYKCVDE
NSTVLSHEITMDRNDCLHENYTWENSPMNFDHVGNAYLSLLQVATFKGWL
QIMNDAIDSREVHKQPIRETNIYMYLYFIFFIVFGSFFILKLFVCILIDI
FRQQRRKAEGLSATDSRTQLIYRRAVMRTMSAKPVKRIPKPTCHPQSLMY
DISVNRKFEYTMMILIILNVAVMAIDHYGQSMEFSEVLDYLNLIFIIIFF
VECVIKVSGLRHHYFKDPWNIIDFLYVVLAIAGLMLSDVIEKYFISPTLL
RILRILRVGRLLRYFQSARGMRLLLLALRKALRTLFNVSFLLFVIMFVYA
VFGMEFFMHIRDAGAIDDVYNFKTFGQSIILLFQLATSAGWDGVYFAIAN
EEDCRAPDHELGYPGNCGSRALGIAYLVSYLIITCLVVINMYAAVILDYV
LEVYEDSKEGLTDDDYDMFFEVWQQFDPEATQYIRYDQLSELLEALQPPL
QVQKPNKYKILSMNIPICKDDHIFYKDVLEALVKDVFSRRGSPVEAGDVQ
APNVDEA

Ligand ID

9SR

InChI

InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1

InChIKey

CFMYXEVWODSLAX-QOZOJKKESA-N

SMILES

Software	SMILES
ACDLabs 12.01	N1C32C(C(N=C1N)O)C4C(CO)(C(C2O)OC(C3O)(O4)O)O
CACTVS 3.385	NC1=N[CH](O)[CH]2[CH]3O[C]4(O)O[CH]([CH](O)[C]2(N1)[CH]4O)[C]3(O)CO
OpenEye OEToolkits 2.0.6	C(C1(C2C3C(N=C(NC34C(C1OC(C4O)(O2)O)O)N)O)O)O
CACTVS 3.385	NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO
OpenEye OEToolkits 2.0.6	C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@@]34[C@@H]([C@@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O

Formula

C11 H17 N3 O8

Name

(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name);
Tetrodotoxin

PDB chain

6a95 Chain A Residue 1608 [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	6a95 Structural basis for the modulation of voltage-gated sodium channels by animal toxins.
Resolution	2.6 Å
Binding residue (original residue number in PDB)	Y376 E701 E704 K1061 G1062 W1063 L1064 G1354 D1356
Binding residue (residue number reindexed from 1)	Y330 E582 E585 K847 G848 W849 L850 G1140 D1142
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0005216	monoatomic ion channel activity
GO:0005248	voltage-gated sodium channel activity
GO:0005261	monoatomic cation channel activity
GO:0005272	sodium channel activity

	Biological Process
GO:0006811	monoatomic ion transport
GO:0006814	sodium ion transport
GO:0019228	neuronal action potential
GO:0034220	monoatomic ion transmembrane transport
GO:0035725	sodium ion transmembrane transport
GO:0055085	transmembrane transport
GO:0086010	membrane depolarization during action potential

	Cellular Component
GO:0001518	voltage-gated sodium channel complex
GO:0005886	plasma membrane
GO:0016020	membrane
GO:0034702	monoatomic ion channel complex

PDB	RCSB:6a95, PDBe:6a95, PDBj:6a95
PDBsum	6a95
PubMed	30049784
UniProt	D0E0C2\|SCNA1_PERAM Sodium channel protein PaFPC1

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Structure of PDB 6a95 Chain A Binding Site BS01