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Receptor Information

>7t92 Chain A (length=298) Species: 573729 (Thermothelomyces thermophilus ATCC 42464) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TRPAFRVGQVDAELLDEELVELLRGQVREALRYVGGGGSGVAQDWEAEIS
LALRAVLFKLTVWDHDATYGAALQNLKYTDARRDGPALAPPSRWQKALYG
LVTVGGRYLWAKWEDWLLEQDDPSPRVKRLARWTSSLSTLHASAALVSFL
VFLLHGRYRTLLDRLLRMRLAPPTSQVSFEYLNRQLVWHAFTEFLLFVLP
LVGINRWRRWLARTWRDKKGEYSFLPERTCAICYRDQNSVVGSAQTDITN
PYEAIPCGCTYCFVCLATRIEREEGEGWPCLRCGELIKECKPWNGDVL

Ligand ID

LBN

InChI

InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1

InChIKey

WTJKGGKOPKCXLL-VYOBOKEXSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
CACTVS 3.385	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC
CACTVS 3.385	CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
ACDLabs 12.01	C(C(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCC=[C@H]CCCCCCCC)=O)OP(OCC[N+](C)(C)C)([O-])=O

Formula

C42 H82 N O8 P

Name

1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine;
(2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

ChEMBL

DrugBank

ZINC

PDB chain

7t92 Chain A Residue 408 [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	7t92 A peroxisomal ubiquitin ligase complex forms a retrotranslocation channel.
Resolution	3.1 Å
Binding residue (original residue number in PDB)	W240 R241
Binding residue (residue number reindexed from 1)	W215 R216
Annotation score	1

Enzyme Commision number

2.3.2.36: RING-type E3 ubiquitin transferase (cysteine targeting).

	Molecular Function
GO:0008270	zinc ion binding

	Biological Process
GO:0007031	peroxisome organization
GO:0016558	protein import into peroxisome matrix

	Cellular Component
GO:0005778	peroxisomal membrane

PDB	RCSB:7t92, PDBe:7t92, PDBj:7t92
PDBsum	7t92
PubMed	35768507
UniProt	G2Q1C9\|PEX2_THET4 Peroxisome assembly protein 2 (Gene Name=PEX2)

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Structure of PDB 7t92 Chain A Binding Site BS05