2024-09-14_00000073
|
ligand
|
8S6J
NavMs in complex with riluzole;
X-ray diffraction 2.15Å
Protein #1
277 residues (92% resolved)
Raw Sequence ...
GSHMSRKIRDLIESKRFQNVITAIIVLNGAVLGLLTDTTLSASSQNLLERVDQLCLTIFIVEISLKIYAYGVRGFFRSGWNLFDFVIVAIALMPAQGSLSVLRTFRIFRVMRLVSVIPTMRRVVQGMLLALPGVGSVAALLTVVFYIAAVMATNLYGATFPEWFGDLSKSLYTLFQVMTLESWSMGIVRPVMNVHPNAWVFFIPFIMLTTLTVLNLFIGIIVDAMAITKEQEEEAKTGHHQEPISQTLLHLGDRLDRIEKQLAQNNELLQRQQPQKK
Canonical Sequence ...
GSHMSRKIRDLIESKRFQNVITAIIVLNGAVLGLLTDTTLSASSQNLLERVDQLCLTIFIVEISLKIYAYGVRGFFRSGWNLFDFVIVAIALMPAQGSLSVLRTFRIFRVMRLVSVIPTMRRVVQGMLLALPGVGSVAALLTVVFYIAAVMATNLYGATFPEWFGDLSKSLYTLFQVMTLESWSMGIVRPVMNVHPNAWVFFIPFIMLTTLTVLNLFIGIIVDAMAITKEQEEEAKTGHHQEPISQTLLHLGDRLDRIEKQLAQNNELLQRQQPQKK
Non polymer #2
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 #3
657
InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
SMILES: c1cc2c(cc1OC(F)(F)F)sc(n2)N
c1cc2c(cc1OC(F)(F)F)sc(n2)N
Non polymer #4
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #5
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Non polymer #6
PG6
InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3
InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3
SMILES: COCCOCCOCCOCCOCCOC
COCCOCCOCCOCCOCCOC
Biounit #1
homo-tetramer
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Model
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