2025-03-08_00000321
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ligand
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9IN9
Structure of the viral channelrhodopsin OLPVR1 at low pH obtained by soaking;
X-ray diffraction 1.41Å
Protein #1
231 residues (97% resolved)
Raw Sequence ...
(FME)DNIIMTAYISIFVQIITAIISVYGLFIPLNFKDIILREILILELIVQIIEFIFYIWLIITLQSINEDITYVRYFDWVLTTPVMLLTTVYFFEYMNSDDGIRKKEINDRDYVYLFYICLSNFFMLLIGYLGETKQINKMLTLFGGSFFLFLTFYLLYVKYTKENWMNYIVFYFMFLVWFLYGFAFMFPFSIKNQMYNILDIVSKNIYSIFIFIVILNQSYKLLLEHHHHHH
Canonical Sequence ...
MDNIIMTAYISIFVQIITAIISVYGLFIPLNFKDIILREILILELIVQIIEFIFYIWLIITLQSINEDITYVRYFDWVLTTPVMLLTTVYFFEYMNSDDGIRKKEINDRDYVYLFYICLSNFFMLLIGYLGETKQINKMLTLFGGSFFLFLTFYLLYVKYTKENWMNYIVFYFMFLVWFLYGFAFMFPFSIKNQMYNILDIVSKNIYSIFIFIVILNQSYKLLLEHHHHHH
Non polymer #2
97N
InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h7-8,18,20-21H,2-6,9-17H2,1H3/b8-7-/t18-/m0/s1
InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h7-8,18,20-21H,2-6,9-17H2,1H3/b8-7-/t18-/m0/s1
SMILES: CCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O
CCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O
Non polymer #3
LFA
InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
SMILES: CCCCCCCCCCCCCCCCCCCC
CCCCCCCCCCCCCCCCCCCC
Non polymer #4
OLC
InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1
InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1
SMILES: CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O
CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O
Non polymer #5
RET
InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C
Biounit #1
monomer
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Model
Reference
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