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Receptor Information

>3pmz Chain D (length=214) Species: 6500 (Aplysia californica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KDDDKLHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKAD
SSTNEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYS
STRPVQVLSPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKF
GSWVYSGFEIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEP
YIDVNLVVKFRERR

Ligand ID

TUB

InChI

InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29-/m0/s1

InChIKey

JFJZZMVDLULRGK-VMPREFPWSA-O

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.0	C[N@]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@H]6Cc7ccc(c(c7)O3)O)(C)C)OC
CACTVS 3.370	COc1cc2CC[N+](C)(C)[C@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
OpenEye OEToolkits 1.7.0	CN1CCc2cc(c3cc2C1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+](C6Cc7ccc(c(c7)O3)O)(C)C)OC
ACDLabs 12.01	Oc7ccc5cc7Oc1cc2c(cc1OC)CCN(C2Cc6ccc(Oc3c4c(cc(OC)c3O)CC[N+](C)(C)C4C5)cc6)C
CACTVS 3.370	COc1cc2CC[N+](C)(C)[CH]3Cc4ccc(O)c(Oc5cc6[CH](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4

Formula

C37 H41 N2 O6

Name

(1beta,1'alpha)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium;
d-tubocurarine

PDB chain

3pmz Chain E Residue 220 [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	3pmz The Curare Alkaloids: Analyzing the Poses of Complexes with the Acetylcholine Binding Protein in Relation to Structure and Binding Energies
Resolution	2.44 Å
Binding residue (original residue number in PDB)	M116 S166 S167
Binding residue (residue number reindexed from 1)	M122 S172 S173
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0004888	transmembrane signaling receptor activity
GO:0005216	monoatomic ion channel activity
GO:0005230	extracellular ligand-gated monoatomic ion channel activity

	Biological Process
GO:0006811	monoatomic ion transport
GO:0034220	monoatomic ion transmembrane transport

	Cellular Component
GO:0016020	membrane

PDB	RCSB:3pmz, PDBe:3pmz, PDBj:3pmz
PDBsum	3pmz
PubMed
UniProt	Q8WSF8

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Structure of PDB 3pmz Chain D Binding Site BS02