Structure of PDB 5zpu Chain C Binding Site BS01

Receptor Information
>5zpu Chain C (length=1015) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEGILDFSNDLDIALLDQVVSTFYQGSGVQQKQAQEILTKFQDNPDAWQK
ADQILQFSTNPQSKFIALSILDKLITRKWKLLPNDHRIGIRNFVVGMIIS
MCQDDEVFKTQKNLINKSDLTLVQILKQEWPQNWPEFIPELIGSSSSSVN
VCENNMIVLKLLSEEVFDFSAEQMTQAKALHLKNSMSKEFEQIFKLCFQV
LEQGSSSSLIVATLESLLRYLHWIPYRYIYETNILELLSTKFMTSPDTRA
ITLKCLTEVSNLKIPQDNDLIKRQTVLFFQNTLQQIATSVMPVTADLKAT
YANANGNDQSFLQDLAMFLTTYLARNRALLESDESLRELLLNAHQYLIQL
SKIEERELFKTTLDYWHNLVADLFYEPLKKHIYEEICSQLRLVIIENMVR
PEEVLVVENDEGEIVREFVKESDTIQLYKSEREVLVYLTHLNVIDTEEIM
ISKLARQIDGSEWSWHNINTLSWAIGSISGTMSEDTEKRFVVTVIKDLLG
LCEQKRGKDNKAVVASDIMYVVGQYPRFLKAHWNFLRTVILKLFEFMHET
HEGVQDMACDTFIKIVQKCKYHFVIQQPRESEPFIQTIIRDIQKTTADLQ
PQQVHTFYKACGIIISEERSVAERNRLLSDLMQLPNMAWDTIVEQSTANP
TLLLDSETVKIIANIIKTNVAVCTSMGADFYPQLGHIYYNMLQLYRAVSS
MISAQVAAEGLIATKTPKVRGLRTIKKEILKLVETYISKARNLDDVVKVL
VEPLLNAVLEDYMNNVPDARDAEVLNCMTTVVEKVGHMIPQGVILILQSV
FECTLDMINKDFTEYPEHRVEFYKLLKVINEKSFAAFLELPPAAFKLFVD
AICWAFKHNNRDVEVNGLQIALDLVKNIERMGNVPFANEFHKNYFFIFVS
ETFFVLTDSDHKSGFSKQALLLMKLISLVYDNKISVPLYQEAEVPQGTSN
QVYLSQYLANMLSNAFPHLTSEQIASFLSALTKQCKDLVVFKGTLRDFLV
QIKEVGGDPTDYLFA
Ligand information
Ligand IDD29
InChIInChI=1S/C13H11F6NOS2/c14-12(15,16)9-5-10(13(17,18)19)7-11(6-9)23(21)4-2-1-3-20-8-22/h2,4-8H,1,3H2,(H,20,22)/b4-2+/t23-/m1/s1
InChIKeyLCTALRIGMZILGK-KFVKGYIZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1c(cc(cc1C(F)(F)F)S(=O)/C=C/CC/N=C\S)C(F)(F)F
OpenEye OEToolkits 2.0.6c1c(cc(cc1C(F)(F)F)S(=O)C=CCCN=CS)C(F)(F)F
ACDLabs 12.01FC(F)(F)c1cc(S(=O)[C@H]=[C@H]CC\N=C/S)cc(c1)C(F)(F)F
CACTVS 3.385FC(F)(F)c1cc(cc(c1)C(F)(F)F)[S@](=O)/C=C/CCN=CS
CACTVS 3.385FC(F)(F)c1cc(cc(c1)C(F)(F)F)[S](=O)C=CCCN=CS
FormulaC13 H11 F6 N O S2
Name(Z)-{[(3E)-4-{(R)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol
ChEMBL
DrugBank
ZINC
PDB chain5zpu 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

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PDB5zpu To be published
Resolution2.6 Å
Binding residue
(original residue number in PDB)		L536 C539 K548 V551 I555 K579 F583
Binding residue
(residue number reindexed from 1)		L499 C502 K511 V514 I518 K542 F546
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:5zpu, PDBe:5zpu, PDBj:5zpu
PDBsum5zpu
PubMed
UniProtP30822|XPO1_YEAST Exportin-1 (Gene Name=CRM1)

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