2024-01-13_00000035|ligand|8DIO

Crystal structure of LARP1-DM15 from Danio rerio bound to m7GpppC; X-ray diffraction 2.30Å

Protein #1 151 residues (99% resolved)

Raw Sequence ...

QHPSHELLKENGFTQHVYHKYRRRCLNERKRLGIGQSQEMNTLFRFWSFFLRDHFNRKMYEEFRQLSVEDGKEGYRYGLECLFRFYSYGLERKFRPDIFKDFQEETVKDYEAGQLYGLEKFWAFLKYSKTKNMEIEPKLQEHLSKFRRLED

Canonical Sequence ...

QHPSHELLKENGFTQHVYHKYRRRCLNERKRLGIGQSQEMNTLFRFWSFFLRDHFNRKMYEEFRQLSVEDGKEGYRYGLECLFRFYSYGLERKFRPDIFKDFQEETVKDYEAGQLYGLEKFWAFLKYSKTKNMEIEPKLQEHLSKFRRLED

Non polymer #2 91P

InChI=1S/C20H29N8O18P3/c1-26-6-28(15-10(26)16(33)25-19(22)24-15)18-14(32)12(30)8(44-18)5-42-48(37,38)46-49(39,40)45-47(35,36)41-4-7-11(29)13(31)17(43-7)27-3-2-9(21)23-20(27)34/h2-3,6-8,11-14,17-18,29-32H,4-5H2,1H3,(H7-,21,22,23,24,25,33,34,35,36,37,38,39,40)/p+1/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1

InChI=1S/C20H29N8O18P3/c1-26-6-28(15-10(26)16(33)25-19(22)24-15)18-14(32)12(30)8(44-18)5-42-48(37,38)46-49(39,40)45-47(35,36)41-4-7-11(29)13(31)17(43-7)27-3-2-9(21)23-20(27)34/h2-3,6-8,11-14,17-18,29-32H,4-5H2,1H3,(H7-,21,22,23,24,25,33,34,35,36,37,38,39,40)/p+1/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1

SMILES: Cn1c[n+](c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)O)O)O

Cn1c[n+](c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)O)O)O

Non polymer #3 MY6

InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)

SMILES: Cn1cnc2c1C(=O)NC(=N2)N

Cn1cnc2c1C(=O)NC(=N2)N

Biounit #1 monomer

Biounit #2 monomer

Reference