Structure of PDB 7rpk Chain A Binding Site BS12

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 2113 [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)		S1024 L1027
Binding residue
(residue number reindexed from 1)		S834 L837
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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