Structure of PDB 7l5e Chain C Binding Site BS01

Receptor Information
>7l5e Chain C (length=1009) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSMEGILDFSNDLDIALLDQVVSTFYQGSGVQQKQAQEILTKFQDNPDAW
QKADQILQFSTNPQSKFIALSILDKLITRKWKLLPNDHRIGIRNFVVGMI
ISMCQDDEVFKTQKNLINKSDLTLVQILKQEWPQNWPEFIPELIGSSSSS
VNVCENNMIVLKLLSEEVFDFSAEQMTQAKALHLKNSMSKEFEQIFKLCF
QVLEQGSSSSLIVATLESLLRYLHWIPYRYIYETNILELLSTKFMTSPDT
RAITLKCLTEVSNLKDNDLIKRQTVLFFQNTLQQIATSVMPVTADLKATY
ANANGNDQSFLQDLAMFLTTYLARNRALLESDESLRELLLNAHQYLIQLS
KIEERELFKTTLDYWHNLVADLFYEPLKKHIYEEICSQLRLVIIENMVRP
VENDEGEIVREFVKESDTIQLYKSEREVLVYLTHLNVIDTEEIMISKLAR
QIDGSEWSWHNINTLSWAIGSISGTMSEDTEKRFVVTVIKDLLGLCEQKR
GKDNKAVVASDIMYVVGQYPRFLKAHWNFLRTVILKLFEFMHETHEGVQD
MACDTFIKIVQKCKYHFVIQQPRESEPFIQTIIRDIQKTTADLQPQQVHT
FYKACGIIISEERSVAERNRLLSDLMQLPNMAWDTIVEQSTANPTLLLDS
ETVKIIANIIKTNVAVCTSMGADFYPQLGHIYYNMLQLYRAVSSMISAQV
AAEGLIATKTPKVRGLRTIKKEILKLVETYISKARNLDDVVKVLVEPLLN
AVLEDYMNNVPDARDAEVLNCMTTVVEKVGHMIPQGVILILQSVFECTLD
MINKDFTEYPEHRVEFYKLLKVINEKSFAAFLELPPAAFKLFVDAICWAF
KHNNRDVEVNGLQIALDLVKNIERMGNVPFANEFHKNYFFIFVSETFFVL
TDSDHKSGFSKQALLLMKLISLVYDNKISVPLYQEAEVPQGTSNQVYLSQ
YLANMLSNAFPHLTSEQIASFLSALTKQCKDLVVFKGTLRDFLVQIKEVG
GDPTDYLFA
Ligand information
Ligand IDV6A
InChIInChI=1S/C17H13F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h2-3,5-9H,1,4H2,(H,25,27)(H,28,31)
InChIKeySRMSVLNNUIPUGA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2ncn(CCC(=O)NNc3cnccn3)n2
OpenEye OEToolkits 2.0.7c1cnc(cn1)NNC(=O)CCn2cnc(n2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F
ACDLabs 12.01c3n(CCC(NNc1cnccn1)=O)nc(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n3
FormulaC17 H13 F6 N7 O
Nameselinexor, bound form;
3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-N'-(pyrazin-2-yl)propanehydrazide
ChEMBL
DrugBank
ZINC
PDB chain7l5e Chain C Residue 1101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7l5e Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
Resolution1.944 Å
Binding residue
(original residue number in PDB)		C539 K548 I555 M556 K579 L580 F583
Binding residue
(residue number reindexed from 1)		C496 K505 I512 M513 K536 L537 F540
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:7l5e, PDBe:7l5e, PDBj:7l5e
PDBsum7l5e
PubMed33451349
UniProtP30822|XPO1_YEAST Exportin-1 (Gene Name=CRM1)

[Back to BioLiP]