Structure of PDB 7t92 Chain B Binding Site BS02

Receptor Information
>7t92 Chain B (length=360) Species: 573729 (Thermothelomyces thermophilus ATCC 42464) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDEHKPSLFELLSEQQLAALLPPTVRYLLTVLTQRYPRYLLRVLNSFDEL
YALAALVVERHYLRTRGGSFTEHFYGLKRERALVRDALRLRPADVWRNLL
VIVGVPYLKRKLDEAHEADAPRAMMGAAYNRPPLPGAPWRERVAFWWRCF
LRRVYPAVNAAYYLSILAFNLAYLFDNSKYHSPFLCLIGTRVRRMSAADY
RAIEALEERALVLPTSIFALKFLEWWYASDFAKQLSRKAAESLDLPPPVV
AGLPEEEKERRAIERAPVSASSLLPIYTVPPPENSDQCPICEGEITTAAA
CQTGIVYCYPCIHKWLTGTHPRQEKFMAERAGKWESGEGRCAVTGRRVLG
GTEGLRRIMV
Ligand information
Ligand IDLBN
InChIInChI=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
InChIKeyWTJKGGKOPKCXLL-VYOBOKEXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
ACDLabs 12.01C(C(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCC=[C@H]CCCCCCCC)=O)OP(OCC[N+](C)(C)C)([O-])=O
FormulaC42 H82 N O8 P
Name1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine;
(2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
ChEMBL
DrugBank
ZINC
PDB chain7t92 Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7t92 A peroxisomal ubiquitin ligase complex forms a retrotranslocation channel.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		Y82 L83 S303 F309
Binding residue
(residue number reindexed from 1)		Y27 L28 S216 F222
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004842 ubiquitin-protein transferase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006513 protein monoubiquitination
GO:0015031 protein transport
GO:0016558 protein import into peroxisome matrix
GO:0016562 protein import into peroxisome matrix, receptor recycling
GO:0016567 protein ubiquitination
Cellular Component
GO:0005777 peroxisome
GO:0005778 peroxisomal membrane
GO:0016020 membrane
GO:1990429 peroxisomal importomer complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7t92, PDBe:7t92, PDBj:7t92
PDBsum7t92
PubMed35768507
UniProtG2Q5N0|PEX12_THET4 Peroxisome assembly protein 12 (Gene Name=PEX12)

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