2024-11-30_00000072
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medium
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8T1V
Crystal structure of orphan G protein-coupled receptor 6 with bound inverse agonist 3h;
X-ray diffraction 2.60Å
Protein #1
455 residues (78% resolved)
Raw Sequence ...
MKTIIALSYIFCLVFADYKDDDDAGRAGGANGSLELSSQLSAGPPGLLLPAVNPWDVLLCVSGTVIAGENALVVALIASTPALRTPMFVLVGSLATADLLAGLGLILHFVFQYLVPSETVSLLTVGFLVASFAASVSSLLAITVDRYLSLYNPLTYYSRRTLLGVHLLLAATWTVSLGLGLLPVLGWNCLAERAACSVVRPLARSHVALLSAAFFMVFGIMLHLYVRICQVVWRHAADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLAHLAATRKGVRTLAVVLGTFGACWLPFAIYCVVGSHEDPAVYTYATLLPATLNSMINPIIYAFRNQEIQRALWLLLDGCFQSKVPFRSRSPSEVEFLEVLFQGPHHHHHHHHH
Canonical Sequence ...
MKTIIALSYIFCLVFADYKDDDDAGRAGGANGSLELSSQLSAGPPGLLLPAVNPWDVLLCVSGTVIAGENALVVALIASTPALRTPMFVLVGSLATADLLAGLGLILHFVFQYLVPSETVSLLTVGFLVASFAASVSSLLAITVDRYLSLYNPLTYYSRRTLLGVHLLLAATWTVSLGLGLLPVLGWNCLAERAACSVVRPLARSHVALLSAAFFMVFGIMLHLYVRICQVVWRHAADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLAHLAATRKGVRTLAVVLGTFGACWLPFAIYCVVGSHEDPAVYTYATLLPATLNSMINPIIYAFRNQEIQRALWLLLDGCFQSKVPFRSRSPSEVEFLEVLFQGPHHHHHHHHH
Non polymer #2
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Non polymer #3
XY8
InChI=1S/C22H26F2N6/c1-14(2)26-21-22(28-20-12-25-15(3)10-19(20)27-21)30-8-6-29(7-9-30)13-16-4-5-17(23)11-18(16)24/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,26,27)
InChI=1S/C22H26F2N6/c1-14(2)26-21-22(28-20-12-25-15(3)10-19(20)27-21)30-8-6-29(7-9-30)13-16-4-5-17(23)11-18(16)24/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,26,27)
SMILES: Cc1cc2c(cn1)nc(c(n2)NC(C)C)N3CCN(CC3)Cc4ccc(cc4F)F
Cc1cc2c(cn1)nc(c(n2)NC(C)C)N3CCN(CC3)Cc4ccc(cc4F)F
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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