Structure of PDB 7rpk Chain A Binding Site BS11

Receptor Information
>7rpk Chain A (length=953) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FKFPRSYAALLADWPVVVLGMCTLLIVVCALVGVLVPELPDFSDPLLGFE
PRGTTIGQRLVTWNNMMRNTGYKATLANYPYKYAEEQARSHRDDRWSDDH
HEREVDWNFQKDSFFCDVPSDGYSRVVFASAGGETLWNLPAIKSMCDVDN
SRIRSHPQFSDLCQRTTAVSCCPSWTLGNYIAILNNRSSCQKIVERDVSH
TLKLLRTCAKHYQNGTLGPDCWDKAARRKDQLKCTNVPRKCTKYNAVYQI
LHYLVDKDFMTPKTADYAVPALKYSMLFSPTEKGESMMNIYLDNFENWNS
SDGITTVTGIEFGIKHSLFQDYLLMDTVYPAIAIAIVLLIMCVYTKSMFI
TLMTMFAIISSLIVSYFLYRVVFNFEFFPFMNLTALIILVGIGADDAFVL
CDVWNYTKFDKPRAETSEAVSVTLQHAALSMFVTSFTTAAAFYANYVSNI
TAIRCFGVYAGTAILVNYVLMVTWLPAVIVLHERYLLNIFCWAVLCQKCR
RVLFAVSEASRIFFEKVLPCIVIKFRYLWLIWFLALTVGGAYIVCVNPKM
KLPSLELSEFQVFRSSHPFERYDAEFKKLFMFERVHHGEELHMPITVIWG
VSPEDSGDPLNPKSKGELTLDSTFNIASPASQAWILHFCQKLRNQTFFHQ
TEQQDFTSCFIETFKQWMENQDCDEPALYPCCSHCSFPYKQEVFELCIKK
AIMELDRSTGYHLNNKTPGPRFDINDTIRAVVLEFQSTFLFTLAYEKMQQ
FYKEVDSWISHELSSAPEGLSRGWFVSNLEFYDLQDSLSDGTLIAMGLSV
AVAFSVMLLTTWNIIISLYAIVSIAGTIFVTVGSLVLLGWELNVLESVTI
SVAVGLSVDFAVHYGVAYRLAPDPDREGKVIFSLSRMGSAIAMAALTTFV
AGAMMMPSTVLAYTQLGTFMMLVMCVSWAFATFFFQCLCRCLGPQGTCGQ
IPF
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 chain7rpk Chain A Residue 2112 [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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PDB7rpk Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		L605 F612 L999 W1002 R1059
Binding residue
(residue number reindexed from 1)		L429 F436 L809 W812 R869
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:7rpk, PDBe:7rpk, PDBj:7rpk
PDBsum7rpk
PubMed34707294
UniProtQ3TDN0|DISP1_MOUSE Protein dispatched homolog 1 (Gene Name=Disp1)

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