Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T12075 | Target Info | |||
| Target Name | Hedgehog protein (SHH) | ||||
| Synonyms | Sonic hedgehog protein C-product; Sonic hedgehog protein; SHH; HHG-1 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | SHH | ||||
| Biochemical Class | Hedgehog | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Cholesterol | Ligand Info | |||
| Canonical SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C | ||||
| InChI | 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 | ||||
| InChIKey | HVYWMOMLDIMFJA-DPAQBDIFSA-N | ||||
| PubChem Compound ID | 5997 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7RHQ Cryo-EM structure of Xenopus Patched-1 in complex with GAS1 and Sonic Hedgehog | ||||||
| Method | Electron microscopy | Resolution | 3.53 Å | Mutation | No | [1] |
| PDB Sequence |
CGPGRGFGKR
33 RHPKKLTPLA43 YKQFIPNVAE53 KTLGASGRYE63 GKISRNSERF73 KELTPNYNPD 83 IIFKDEENTG93 ADRLMTQRCK103 DKLNALAISV113 MNQWPGVKLR123 VTEGWDEHSE 136 ESLHYEGRAV146 DITTSDRDRS156 KYGMLARLAV166 EAGFDWVYYE176 SKAHIHCSVK 186 AENSVAAKSG196 G
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| PDB ID: 6RVD Revised cryo-EM structure of the human 2:1 Ptch1-Shh complex | ||||||
| Method | Electron microscopy | Resolution | 3.50 Å | Mutation | No | [2] |
| PDB Sequence |
CGPGRGFGKR
33 RHPKKLTPLA43 YKQFIPNVAE53 KTLGASGRYE63 GKISRNSERF73 KELTPNYNPD 83 IIFKDEENTG93 ADRLMTQRCK103 DKLNALAISV113 MNQWPGVKLR123 VTEGWDEDGH 133 HSEESLHYEG143 RAVDITTSDR153 DRSKYGMLAR163 LAVEAGFDWV173 YYESKAHIHC 183 SVKAENSVAA193 KSGG
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| PDB ID: 6N7H Cryo-EM structure of the 2:1 hPtch1-Shhp complex | ||||||
| Method | Electron microscopy | Resolution | 3.60 Å | Mutation | No | [3] |
| PDB Sequence |
CGPGRGFGKR
33 RHPKKLTPLA43 YKQFIPNVAE53 KTLGASGRYE63 GKISRNSERF73 KELTPNYNPD 83 IIFKDEENTG93 ADRLMTQRCK103 DKLNALAISV113 MNQWPGVKLR123 VTEGWDEDGH 133 HSEESLHYEG143 RAVDITTSDR153 DRSKYGMLAR163 LAVEAGFDWV173 YYESKAHIHC 183 SVKAENSVAA193 KSGG
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis for catalyzed assembly of the Sonic hedgehog-Patched1 signaling complex. Dev Cell. 2022 Mar 14;57(5):670-685.e8. | ||||
| REF 2 | The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism. Nat Chem Biol. 2019 Oct;15(10):975-982. | ||||
| REF 3 | Inhibition of tetrameric Patched1 by Sonic Hedgehog through an asymmetric paradigm. Nat Commun. 2019 May 24;10(1):2320. | ||||
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