Structure of PDB 8hq4 Chain C Binding Site BS01

Receptor Information
>8hq4 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]
SMEGILDFSNDLDIALLDQVVSTFYQGEGVQQKQAQEILTKFQDNPDAWE
KVDQILQFSTNPQSKFIALSILDKLITRKWKLLPNDHRIGIRNFVVGMII
SMCQDDEVFKTQKNLINKSDLTLVQILKQEWPQNWPEFIPELIGSSSSSV
NVCENNMIVLKLLSEEVFDFSAEQMTQAKALHLKNSMSKEFEQIFKLCFQ
VLEQGSSSSLIVATLESLLRYLHWIPYRYIYETNILELLSTKFMTSPDTR
AITLKCLTEVSNLKIPQDNDLIKRQTVLFFQNTLQQIATSVMPVTADLKA
TYANANGNDQSFLQDLAMFLTTYLARNRALLESDESLRELLLNAHQYLIQ
LSKIEERELFKTTLDYWHNLVADLFYEPLKKHIYEEICSQLRLVIIENMV
RPEEIQLYKSEREVLVYLTHLNVIDTEEIMISKLARQIDGSEWSWHNINT
LSWAIGSISGTMSEDTEKRFVVTVIKDLLGLCEQKRGKDNKAVVARDIMY
VVGEYPRFLKAHWNFLRTVILKLFEFMHETHEGVQDMACDTFIKIVQKCK
YHFVIQQPRESEPFIQTIIRDIQKTTADLQPQQVHTFYKACGIIISEERS
VAERNRLLSDLMQLPNMAWDTIVEQSTANPTLLLDSETVKIIANIIKTNV
AVCTSMGADFYPQLGHIYYNMLQLYRAVSSMISTQVAAEGLIATKTPKVR
GLRTIKKEILKLVETYISKARNLDDVVKVLVEPLLNAVLEDYMNNVPDAR
DAEVLNCMTTVVEKVGHMIPQGVILILQSVFECTLDMINKDFTEYPEHRV
EFYKLLKVINEKSFAAFLELPPAAFKLFVDAICWAFKHNNRDVEVNGLQI
ALDLVKNIERMGNVPFANEFHKNYFFIFVSETFFVLTDSDHKSGFSKQAL
LLMKLISLVYDNKISVPLYQEAEVPQGTSNQVYLSQYLANMLSNAFPHLT
SEQIASFLSALTKQCKDLVVFKGTLRDFLVQIKEVGGDPTDYLFAE
Ligand information
Ligand IDM9R
InChIInChI=1S/C25H21F4N3O3/c26-19-7-4-16(5-8-19)23(33)30-21-14-17(24(34)35)6-9-22(21)32-12-10-31(11-13-32)20-3-1-2-18(15-20)25(27,28)29/h1-9,14-15H,10-13H2,(H,30,33)(H,34,35)
InChIKeyHDYCTRBNLDVBEL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)N2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(cc4)F)C(=O)O)C(F)(F)F
CACTVS 3.385OC(=O)c1ccc(N2CCN(CC2)c3cccc(c3)C(F)(F)F)c(NC(=O)c4ccc(F)cc4)c1
FormulaC25 H21 F4 N3 O3
Name3-[(4-fluorophenyl)carbonylamino]-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoic acid
ChEMBL
DrugBank
ZINCZINC000032946720
PDB chain8hq4 Chain C Residue 1110 [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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PDB8hq4 B27 in complex with CRM1-Ran-RanBP1
Resolution2.12 Å
Binding residue
(original residue number in PDB)		L536 N571 F572 K579
Binding residue
(residue number reindexed from 1)		L479 N514 F515 K522
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

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8hq4, PDBe:8hq4, PDBj:8hq4
PDBsum8hq4
PubMed
UniProtP30822|XPO1_YEAST Exportin-1 (Gene Name=CRM1)

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