Structure of PDB 7e2i Chain D Binding Site BS04

Receptor Information
>7e2i Chain D (length=907) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YAALIADWPVVVLGMCTMFIVVCALVGVLVPELPDFSDPLLGFEPRGTAI
GQRLVTWNNMVKNTGYKATLANYPFKYADEQAKSHNFHKDSFFCDVPSDR
YSRVVFTSSGGETLWNLPAIKSMCNVDNSRIRSHPQFGDLCQRTTAASCC
PSWTLGNYIAILNNRSSCQKIVERDVSHTLKLLRTCAKHYDMAARRKDQL
KCTNVPRKCTKYNAVYQILHYLVDKDFMTPKTADYATPALKYSMLFSPTE
KGESMMNIYLDNFENWNSSDGVTTITGIEFGIKHSLFQDYLLMDTVYPAI
AIVIVLLVMCVYTKSMFITLMTMFAIISSLIVSYFLYRVVFHFEFFPFMN
LTALIILVGIGANNAFVLCDVWNYTKFDKPHAETSETVSITLQHAALSMF
VTSFTTAAAFYANYVSNITAIRCFGVYAGTAILVNYVLMVTWLPAVVVLH
ERACQKCHKVLFAISEASRIFFEKVLPCIVIKFRYLWLFWFLALTVGGAY
IVCINPKMKLPSLELSEFQVFRSSHPFERYDAEYKKLFMFERVHHGEELH
MPITVIWGVSPEDNGNPLNPKSKGKLTLDSSFNIASPASQAWILHFCQKL
RNQTFFYQTDEQDFTSCFIETFKQWMENQDCCCSHWSFPYKQEIFELCIK
RAIMELERSTGYHLDSKTPGPRFDINDTIRAVVLEFQSTYLFTLAYEKMH
QFYKEVDSWISSELSSAPEGLSNGWFVSNLEFYDLQDSLSDGTLIAMGLS
VAVAFSVMLLTTWNIIISLYAIISIAGTIFVTVGSLVLLGWELNVLESVT
ISVAVGLSVNFAVHYGVAYRLAPDPDREGKVIFSLSRVGSAMAMAALTTF
VAGAMMMPSTVLAYTQLGTFMMLIMCISWAFATFFFQCMCRCLGPQGTCG
QIPLPKK
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 chain7e2i Chain D Residue 1607 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7e2i Structural insights into proteolytic activation of the human Dispatched1 transporter for Hedgehog morphogen release.
Resolution4.07 Å
Binding residue
(original residue number in PDB)		Y181 L601 L606 Y645
Binding residue
(residue number reindexed from 1)		Y1 L392 L397 Y436
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:1904680 peptide transmembrane transporter activity
Biological Process
GO:0007224 smoothened signaling pathway
GO:0007225 patched ligand maturation
GO:0007368 determination of left/right symmetry
GO:0009880 embryonic pattern specification
GO:0009953 dorsal/ventral pattern formation
GO:0015833 peptide transport
GO:0050708 regulation of protein secretion
GO:0055085 transmembrane transport
GO:0060539 diaphragm development
GO:0070207 protein homotrimerization
Cellular Component
GO:0016020 membrane
GO:0016323 basolateral plasma membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7e2i, PDBe:7e2i, PDBj:7e2i
PDBsum7e2i
PubMed34845226
UniProtQ96F81|DISP1_HUMAN Protein dispatched homolog 1 (Gene Name=DISP1)

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