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BioLiP

Structure of PDB 7mzd Chain D Binding Site BS01

Receptor Information

>7mzd Chain D (length=532) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

YYKGQTALHIAIERRNMTLVTLLVENGADVQAAANGDFFKKTKGRPGFYF
GELPLSLAACTNQLAIVKFLLQNSWQPADISARDSVGNTVLHALVEVADN
TVDNTKFVTSMYNEILILGAKLHPTLKLEEITNRKGLTPLALAASSGKIG
VLAYILQREIHEPECRHLSRKFTEWAYGPVHSSLYDLSCIDTCEKNSVLE
VIAYSSSETPNRHDMLLVEPLNRLLQDKWDRFVKRIFYFNFFVYCLYMII
FTAAAYYRPVEGLPPYKLKNTVGDYFRVTGEILSVSGGVYFFFRGIQYFL
QRRPSLKSLFVDSYSEILFFVQSLFMLVSVVLYFSQRKEYVASMVFSLAM
GWTNMLYYTRGFQQMGIYAVMIEKMILRDLCRFMFVYLVFLFGFSTAVVT
LIEDGKYNSLYSTCLELFKFTIGMGDLEFTENYDFKAVFIILLLAYVILT
YILLLNMLIALMGETVNKIAQESKNIWKLQRAITILDTEKSFLKCMRKAF
RSGKLLQVGFTPDGKDDYRWCFRVDEVNWTTW

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

PDB chain

7mzd Chain D Residue 901 [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	7mzd Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Resolution	2.9 Å
Binding residue (original residue number in PDB)	Y511 S512 L515 M547 T550 L553 Y554 L577
Binding residue (residue number reindexed from 1)	Y314 S315 L318 M350 T353 L356 Y357 L380
Annotation score	1
Binding affinity	BindingDB: Ki=0.13nM,IC50=180nM

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0005216	monoatomic ion channel activity

	Biological Process
GO:0006811	monoatomic ion transport
GO:0055085	transmembrane transport

	Cellular Component
GO:0016020	membrane

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:7mzd, PDBe:7mzd, PDBj:7mzd
PDBsum	7mzd
PubMed	34496225
UniProt	O35433\|TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 (Gene Name=Trpv1)

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