2025-09-27_00000077
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ligand
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9GV1
NavMs F208L bound to sevoflurane;
X-ray diffraction 2.20Å
Protein #1
276 residues (92% resolved)
Raw Sequence ...
SHMSRKIRDLIESKRFQNVITAIIVLNGAVLGLLTDTTLSASSQNLLERVDQLCLTIFIVEISLKIYAYGVRGFFRSGWNLFDFVIVAIALMPAQGSLSVLRTFRIFRVMRLVSVIPTMRRVVQGMLLALPGVGSVAALLTVVFYIAAVMATNLYGATFPEWFGDLSKSLYTLFQVMTLESWSMGIVRPVMNVHPNAWVFFIPFIMLTTLTVLNLFIGIIVDAMAITKEQEEEAKTGHHQEPISQTLLHLGDRLDRIEKQLAQNNELLQRQQPQKK
Canonical Sequence ...
SHMSRKIRDLIESKRFQNVITAIIVLNGAVLGLLTDTTLSASSQNLLERVDQLCLTIFIVEISLKIYAYGVRGFFRSGWNLFDFVIVAIALMPAQGSLSVLRTFRIFRVMRLVSVIPTMRRVVQGMLLALPGVGSVAALLTVVFYIAAVMATNLYGATFPEWFGDLSKSLYTLFQVMTLESWSMGIVRPVMNVHPNAWVFFIPFIMLTTLTVLNLFIGIIVDAMAITKEQEEEAKTGHHQEPISQTLLHLGDRLDRIEKQLAQNNELLQRQQPQKK
Non polymer #2
12P
InChI=1S/C24H50O13/c25-1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-21-23-37-24-22-36-20-18-34-16-14-32-12-10-30-8-6-28-4-2-26/h25-26H,1-24H2
InChI=1S/C24H50O13/c25-1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-21-23-37-24-22-36-20-18-34-16-14-32-12-10-30-8-6-28-4-2-26/h25-26H,1-24H2
SMILES: C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
Non polymer #3
2CV
InChI=1S/C18H37NO7/c1-2-3-4-5-6-7-8-9-16(24)19(10-11-20)12-14(22)17(25)18(26)15(23)13-21/h14-15,17-18,20-23,25-26H,2-13H2,1H3/t14-,15+,17-,18+/m1/s1
InChI=1S/C18H37NO7/c1-2-3-4-5-6-7-8-9-16(24)19(10-11-20)12-14(22)17(25)18(26)15(23)13-21/h14-15,17-18,20-23,25-26H,2-13H2,1H3/t14-,15+,17-,18+/m1/s1
SMILES: CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O
CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O
Non polymer #4
A1IPI
InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2
InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2
SMILES: C(OC(C(F)(F)F)C(F)(F)F)F
C(OC(C(F)(F)F)C(F)(F)F)F
Non polymer #5
PTY
InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1
InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN
CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN
Biounit #1
homo-tetramer
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Model
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