Structure of PDB 6m60 Chain C Binding Site BS01

Receptor Information
>6m60 Chain C (length=995) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMEGILDFSNDLDIALLDQVVSTFYQGEGVQQKQAQEILTKFQDNPDAWE
KADQILQFSTNPQSKFIALSILDKLITRKWKLLPNDHRIGIRNFVVGMII
SMCQDDEVFKTQKNLINKSDLTLVQILKQEWPQNWPEFIPELIGSSSSSV
NVCENNMIVLKLLSEEVFDFSAEQMTQAKALHLKNSMSKEFEQIFKLCFQ
VLEQGSSSSLIVATLESLLRYLHWIPYRYIYETNILELLSTKFMTSPDTR
AITLKCLTEVSNLKIPQDNDLIKRQTVLFFQNTLQQIATSVMPVTADLKA
TYANANGNDQSFLQDLAMFLTTYLARNRALLESDESLRELLLNAHQYLIQ
LSKIEERELFKTTLDYWHNLVADLFYEPLKKHIYEEICSQLRLVIIENMV
RPEEIQLYKSEREVLVYLTHLNVIDTEEIMISKLARQIDGSEWSWHNINT
LSWAIGSISGTMSEKTEKRFVVTVIKDLLGLCEQKRGKDNKAVVARDIMY
VVGEYPRFLKAHWNFLRTVILKLFEFMHETHEGVQDMACDTFIKIVQKCK
YHFVIQQPRESEPFIQTIIRDIQKTTADLQPQQVHTFYKACGIIISEERS
VAERNRLLSDLMQLPNMAWDTIVEQSTANPTLLLDSETVKIIANIIKTNV
AVCTSMGADFYPQLGHIYYNMLQLYRAVSSMISTQVAAEGLIATKTPKVR
GLRTIKKEILKLVETYISKARNLDDVVKVLVEPLLNAVLEDYMNNVPDAR
DAEVLNCMTTVVEKVGHMIPQGVILILQSVFECTLDMINKDFTEYPEHRV
EFYKLLKVINEKSFAAFLELPPAAFKLFVDAICWAFKHNNRDVEVNGLQI
ALDLVKNIERMGNVPFANEFHKNYFFIFVSETFFVLTDSDHKSGFSKQAL
LLMKLISLVYDNKISVPLYQEAEVPQGTSNQVYLSQYLANMLSNAFPHLT
SEQIASFLSALTKQCKDLVVFKGTLRDFLVQIKEVGGDPTDYLFA
Ligand information
Ligand IDF2X
InChIInChI=1S/C11H10O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,12H,5H2,1H3/t6-/m1/s1
InChIKeyALPCEXCHMFUSAN-ZCFIWIBFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1CC(=O)c2c(cccc2O)C1=O
OpenEye OEToolkits 2.0.7C[C@@H]1CC(=O)c2c(cccc2O)C1=O
CACTVS 3.385C[C@@H]1CC(=O)c2c(O)cccc2C1=O
CACTVS 3.385C[CH]1CC(=O)c2c(O)cccc2C1=O
FormulaC11 H10 O3
Name(2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione
ChEMBL
DrugBank
ZINC
PDB chain6m60 Chain C Residue 1115 [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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PDB6m60 Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
Resolution2.17 Å
Binding residue
(original residue number in PDB)		I963 Y967 Q988 T1019 K1020 C1022
Binding residue
(residue number reindexed from 1)		I906 Y910 Q931 T962 K963 C965
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005049 nuclear export signal receptor activity
GO:0005515 protein binding
GO:0017070 U6 snRNA binding
GO:0030619 U1 snRNA binding
GO:0030620 U2 snRNA binding
GO:0030621 U4 snRNA binding
GO:0030623 U5 snRNA binding
GO:0031267 small GTPase binding
GO:0061608 nuclear import signal receptor activity
Biological Process
GO:0000055 ribosomal large subunit export from nucleus
GO:0000056 ribosomal small subunit export from nucleus
GO:0006406 mRNA export from nucleus
GO:0006409 tRNA export from nucleus
GO:0006611 protein export from nucleus
GO:0006886 intracellular protein transport
GO:0015031 protein transport
GO:0034501 protein localization to kinetochore
GO:0051168 nuclear export
GO:0051170 import into nucleus
GO:0071528 tRNA re-export from nucleus
Cellular Component
GO:0000776 kinetochore
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005816 spindle pole body
GO:0048471 perinuclear region of cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6m60, PDBe:6m60, PDBj:6m60
PDBsum6m60
PubMed33890470
UniProtP30822|XPO1_YEAST Exportin-1 (Gene Name=CRM1)

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