2024-11-30_00000069
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medium
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8S4D
Crystal structure of a peptidergic GPCR in complex with a small synthetic G protein-biased agonist;
X-ray diffraction 2.58Å
Protein #1
497 residues (77% resolved)
Raw Sequence ...
MKTIIALSYIFCLVFADYKDDDDKFDNYYGADNQSECEYTDWKSSGALIPAIYMLVFLLGTTGNGLVLWTVFRSSREKRRSADIFIASLAVADLTFVVTLPLWAVYTYRDYDWPFGTFFCKLSSYLIFVAMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAMPVMVLRTTGDLENTNKVQCYMDYSMVATVSSEWAWEVGLGVSSTMVGFVVPLTIMLTCYFFAAQTIADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDLFLMNIFPYCTCIAYVNSCLNPFLYAFFDPRFRQACTSMLLMGQSRLEVLFQGPASAWSHPQFEKGSAGSAAGSASAWSHPQFEKHHHHHHHHHH
Canonical Sequence ...
MKTIIALSYIFCLVFADYKDDDDKFDNYYGADNQSECEYTDWKSSGALIPAIYMLVFLLGTTGNGLVLWTVFRSSREKRRSADIFIASLAVADLTFVVTLPLWAVYTYRDYDWPFGTFFCKLSSYLIFVAMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAMPVMVLRTTGDLENTNKVQCYMDYSMVATVSSEWAWEVGLGVSSTMVGFVVPLTIMLTCYFFAAQTIADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDLFLMNIFPYCTCIAYVNSCLNPFLYAFFDPRFRQACTSMLLMGQSRLEVLFQGPASAWSHPQFEKGSAGSAAGSASAWSHPQFEKHHHHHHHHHH
Non polymer #2
1PE
InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2
InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2
SMILES: C(COCCOCCOCCOCCO)O
C(COCCOCCOCCOCCO)O
Non polymer #3
A1D5N
InChI=1S/C25H33N3O3S/c1-5-19(6-2)28-22-10-9-17(25(31)26-18(12-16(3)4)14-24(29)30)13-21(22)27-23(28)15-20-8-7-11-32-20/h7-11,13,16,18-19H,5-6,12,14-15H2,1-4H3,(H,26,31)(H,29,30)/t18-/m0/s1
InChI=1S/C25H33N3O3S/c1-5-19(6-2)28-22-10-9-17(25(31)26-18(12-16(3)4)14-24(29)30)13-21(22)27-23(28)15-20-8-7-11-32-20/h7-11,13,16,18-19H,5-6,12,14-15H2,1-4H3,(H,26,31)(H,29,30)/t18-/m0/s1
SMILES: CCC(CC)n1c2ccc(cc2nc1Cc3cccs3)C(=O)N[C@@H](CC(C)C)CC(=O)O
CCC(CC)n1c2ccc(cc2nc1Cc3cccs3)C(=O)N[C@@H](CC(C)C)CC(=O)O
Non polymer #4
OLA
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
SMILES: CCCCCCCCC=C/CCCCCCCC(=O)O
CCCCCCCCC=C/CCCCCCCC(=O)O
Biounit #1
monomer
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Model
Reference
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