Structure of PDB 7e2h Chain E Binding Site BS02

Receptor Information
>7e2h Chain E (length=824) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSEVDWNFHKDSFFCDVPSDRYSRVVFTSSGGETLWNLPAIKSMCNVDNS
RIRSHPQFGDLCQRTTAASCCPSWTLGNYIAILNNRSSCQKIVERDVSHT
LKLLRTCAKHYDMAARRKDQLKCTNVPRKCTKYNAVYQILHYLVDKDFMT
PKTADYATPALKYSMLFSPTEKGESMMNIYLDNFENWNSSDGVTTITGIE
FGIKHSLFQDYLLMDTVYPAIAIVIVLLVMCVYTKSMFITLMTMFAIISS
LIVSYFLYRVVFHFEFFPFMNLTALIILVGIGANNAFVLCDVWNYTKFDK
PHAETSETVSITLQHAALSMFVTSFTTAAAFYANYVSNITAIRCFGVYAG
TAILVNYVLMVTWLPAVVVLHERACQKCHKVLFAISEASRIFFEKVLPCI
VIKFRYLWLFWFLALTVGGAYIVCINPKMKLPSLELSEFQVFRSSHPFER
YDAEYKKLFMFERVHHGEELHMPITVIWGVSPEDNGNPLNPKSKGKLTLD
SSFNIASPASQAWILHFCQKLRNQTFFYQTDEQDFTSCFIETFKQWMENQ
DCCCSHWSFPYKQEIFELCIKRAIMELERSTGYHLDSKTPGPRFDINDTI
RAVVLEFQSTYLFTLAYEKMHQFYKEVDSWISSELSSAPEGLSNGWFVSN
LEFYDLQDSLSDGTLIAMGLSVAVAFSVMLLTTWNIIISLYAIISIAGTI
FVTVGSLVLLGWELNVLESVTISVAVGLSVNFAVHYGVAYRLAPDPDREG
KVIFSLSRVGSAMAMAALTTFVAGAMMMPSTVLAYTQLGTFMMLIMCISW
AFATFFFQCMCRCLGPQGTCGQIP
Ligand information
Ligand IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain7e2h Chain E Residue 1603 [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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PDB7e2h Structural insights into proteolytic activation of the human Dispatched1 transporter for Hedgehog morphogen release.
Resolution3.68 Å
Binding residue
(original residue number in PDB)		K741 M742 Y937 E938 L985 M988
Binding residue
(residue number reindexed from 1)		K428 M429 Y617 E618 L665 M668
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:7e2h, PDBe:7e2h, PDBj:7e2h
PDBsum7e2h
PubMed34845226
UniProtQ96F81|DISP1_HUMAN Protein dispatched homolog 1 (Gene Name=DISP1)

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