Structure of PDB 7ypz Chain C Binding Site BS01

Receptor Information
>7ypz Chain C (length=996) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSMEGILDFSNDLDIALLDQVVSTFYQGEGVQQKQAQEILTKFQDNPDAW
EKVDQILQFSTNPQSKFIALSILDKLITRKWKLLPNDHRIGIRNFVVGMI
ISMCQDDEVFKTQKNLINKSDLTLVQILKQEWPQNWPEFIPELIGSSSSS
VNVCENNMIVLKLLSEEVFDFSAEQMTQAKALHLKNSMSKEFEQIFKLCF
QVLEQGSSSSLIVATLESLLRYLHWIPYRYIYETNILELLSTKFMTSPDT
RAITLKCLTEVSNLKIPQDNDLIKRQTVLFFQNTLQQIATSVMPVTADLK
ATYANANGNDQSFLQDLAMFLTTYLARNRALLESDESLRELLLNAHQYLI
QLSKIEERELFKTTLDYWHNLVADLFYEPLKKHIYEEICSQLRLVIIENM
VRPEEIQLYKSEREVLVYLTHLNVIDTEEIMISKLARQIDGSEWSWHNIN
TLSWAIGSISGTMSEDTEKRFVVTVIKDLLGLCEQKRGKDNKAVVARDIM
YVVGEYPRFLKAHWNFLRTVILKLFEFMHETHEGVQDMACDTFIKIVQKC
KYHFVIQQPRESEPFIQTIIRDIQKTTADLQPQQVHTFYKACGIIISEER
SVAERNRLLSDLMQLPNMAWDTIVEQSTANPTLLLDSETVKIIANIIKTN
VAVCTSMGADFYPQLGHIYYNMLQLYRAVSSMISTQVAAEGLIATKTPKV
RGLRTIKKEILKLVETYISKARNLDDVVKVLVEPLLNAVLEDYMNNVPDA
RDAEVLNCMTTVVEKVGHMIPQGVILILQSVFECTLDMINKDFTEYPEHR
VEFYKLLKVINEKSFAAFLELPPAAFKLFVDAICWAFKHNNRDVEVNGLQ
IALDLVKNIERMGNVPFANEFHKNYFFIFVSETFFVLTDSDHKSGFSKQA
LLLMKLISLVYDNKISVPLYQEAEVPQGTSNQVYLSQYLANMLSNAFPHL
TSEQIASFLSALTKQCKDLVVFKGTLRDFLVQIKEVGGDPTDYLFA
Ligand information
Ligand IDZLK
InChIInChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
InChIKeyYEEZWCHGZNKEEK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1cc(ccc1Cc2cn(C)c3ccc(NC(=O)OC4CCCC4)cc23)C(=O)N[S](=O)(=O)c5ccccc5C
OpenEye OEToolkits 2.0.7Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C
FormulaC31 H33 N3 O6 S
Namezafirlukast
ChEMBLCHEMBL603
DrugBankDB00549
ZINCZINC000000896717
PDB chain7ypz Chain C Residue 1116 [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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PDB7ypz Searching for Novel Noncovalent Nuclear Export Inhibitors through a Drug Repurposing Approach.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		K533 L536 I555 F572 T575 K579
Binding residue
(residue number reindexed from 1)		K477 L480 I499 F516 T519 K523
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:7ypz, PDBe:7ypz, PDBj:7ypz
PDBsum7ypz
PubMed36622814
UniProtP30822|XPO1_YEAST Exportin-1 (Gene Name=CRM1)

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