Structure of PDB 6oo5 Chain B Binding Site BS01
Receptor Information
>6oo5 Chain B (length=610) Species:
9986
(Oryctolagus cuniculus) [
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FDRDRLFNVVARGNPEDLAGLLEYLRRTSKYLTDSEYTEGSTGKTCLMKA
VLNLQDGVNACIQPLLEIDRDSGNPQPLVNAQCTDEYYRGHSALHIAIEK
RSLQCVKLLVENGANVHAKACGHFFQKNQDTCFYFGELPLSLAACTKQWD
VVNYLLENPHQPASLQAQDSLGNTVLHALVMIADDSAENSALVVRMYDGL
LQAGARLCPNVQLEGIPNLEGLTPLKLAAKEGKIEIFKHILQREFSAPCQ
SLSRKFTEWCYGPVRVSLYDLASVDSWEENSVLEIIAFHSRSPHRHRMVV
LEPLNKLLQAKWDRLIPRFCFNFLCYLVYMLIFTAVAYHQPAGNSMLLLG
HILILLGGVYLLLGQLWYFWRRRLSFMDSYSEILFLLQALLTVLSQVLCF
LAIEWYLPLLVSSLAMGWTNLLYYTRGFQHTGIYSVMIEKVILRDLLRFL
LVYLVFLFGFAVALVSLSRPPYRSILDASLELFKFTIGMGELAFQEQLRF
RGVVLLLLLAYVLLTYVLLLNMLIALMSETVNSVATDSWSIWKLQKAISV
LEMENGYWWCRRKKQRAGVMLTVGTRPDGSPDERWCFRVGEMNWATWEQT
LPRTLCEEPS
Ligand information
Ligand ID
6EU
InChI
InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1
InChIKey
DSDNAKHZNJAGHN-MXTYGGKSSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.4
CC1CC2(C3C4C1(C5C=C(C(=O)C5(CC(=C4)COC(=O)Cc6ccc(c(c6)OC)O)O)C)OC(O3)(O2)Cc7ccccc7)C(=C)C
CACTVS 3.385
COc1cc(CC(=O)OCC2=C[CH]3[CH]4O[C]5(Cc6ccccc6)O[C]4(C[CH](C)[C]3(O5)[CH]7C=C(C)C(=O)[C]7(O)C2)C(C)=C)ccc1O
CACTVS 3.385
COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]7C=C(C)C(=O)[C@@]7(O)C2)C(C)=C)ccc1O
ACDLabs 12.01
COc1cc(ccc1O)CC(=O)OCC=3CC2(C(C=C(C2=O)C)C54C(C=3)C6C(CC4C)(OC(O5)(O6)Cc7ccccc7)\C(=C)C)O
OpenEye OEToolkits 2.0.4
C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)Cc6ccc(c(c6)OC)O)O)C)O[C@](O3)(O2)Cc7ccccc7)C(=C)C
Formula
C37 H40 O9
Name
resiniferatoxin;
RTX
ChEMBL
CHEMBL17976
DrugBank
DB06515
ZINC
ZINC000004262463
PDB chain
6oo5 Chain B Residue 1001 [
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Receptor-Ligand Complex Structure
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PDB
6oo5
Symmetry transitions during gating of the TRPV2 ion channel in lipid membranes.
Resolution
4.2 Å
Binding residue
(original residue number in PDB)
Y469 L473 T508
Binding residue
(residue number reindexed from 1)
Y380 L384 T419
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0005216
monoatomic ion channel activity
GO:0005261
monoatomic cation channel activity
GO:0005262
calcium channel activity
GO:0042802
identical protein binding
Biological Process
GO:0006811
monoatomic ion transport
GO:0009266
response to temperature stimulus
GO:0045773
positive regulation of axon extension
GO:0055085
transmembrane transport
GO:0070588
calcium ion transmembrane transport
GO:0090280
positive regulation of calcium ion import
GO:0098703
calcium ion import across plasma membrane
GO:0120162
positive regulation of cold-induced thermogenesis
Cellular Component
GO:0005886
plasma membrane
GO:0009986
cell surface
GO:0016020
membrane
GO:0030424
axon
GO:0032584
growth cone membrane
GO:0044295
axonal growth cone
GO:0044297
cell body
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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:6oo5
,
PDBe:6oo5
,
PDBj:6oo5
PDBsum
6oo5
PubMed
31090543
UniProt
G1SNM3
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