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Table 2 Brief description of interacting ligands in PDB chain

From: BLAST-based structural annotation of protein residues using Protein Data Bank

Ligand code

Ligand formula

Ligand MW

Ligand name

Ligand SMILES

BLA

C33 H34 N4 O6

582.65

Biliverdine IX alpha

Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C=C)C)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O

BO3

B H3 O3

61.83

Boric acid

B(O)(O)O

BOG

C14 H28 O6

292.37

B-Octylglucoside

CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

CYC

C33 H40 N4 O6

588.69

Phycocyanobilin

CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C

MAL

C12 H22 O11

342.30

Maltose

C([C@@H]1[C@H]([C@@H]([C@H](C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O

MLR

C18 H32 O16

504.44

Maltotriose

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O