Each line in the annotation file BioLiP_*.txt annotates for each ligand-protein interaction site in BioLiP. The columns are separated by the tab key, i.e., "\t", so that you can easily import the data into MySQL database with command like this: load data local infile 'BioLiP.dat' into TABLE biolip FIELDS TERMINATED BY '\t'; Example entry: 966c A 1.90 BS06 RS2 A 1 N180 L181 A182 V215 H218 E219 H222 H228 L235 Y237 P238 S239 Y240 T241 N73 L74 A75 V108 H111 E112 H115 H121 L128 Y130 P131 S132 Y133 T134 M236 E219;E219 M129 E112;E112 3.4.24.- 0004222,0006508,0008237,0008270,0031012 ki=23nM (RS2) Ki=23nM (RS2) P03956 10074939 RWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQ The columns are (from left to right): 01 PDB ID 02 Receptor chain 03 Resolution. "-1.00" stands for lack of resolution information, e.g. for NMR 04 Binding site number code 05 Ligand ID in the Chemical Component Dictionary (CCD) used by the PDB database 06 Ligand chain 07 Ligand serial number 08 Binding site residues (with PDB residue numbering) 09 Binding site residues (with residue re-numbered starting from 1) 10 Catalytic site residues (different sites are separated by ';') (with PDB residue numbering) 11 Catalytic site residues (different sites are separated by ';') (with residue re-numbered starting from 1) 12 EC number 13 GO terms 14 Binding affinity by manual survey of the original literature. The information in '()' is the PubMed ID 15 Binding affinity provided by the Binding MOAD database. The information in '()' is the ligand information in Binding MOAD 16 Binding affinity provided by the PDBbind-CN database. The information in '()' is the ligand information in PDBbind-CN 17 Binding affinity provided by the BindingDB database 18 UniProt ID 19 PubMed ID 20 Residue sequence number of the ligand (field _atom_site.auth_seq_id in PDBx/mmCIF format) 21 Receptor sequence The ligand-protein complex structure for each line entry be obtained by using the two PDB files: 1. the receptor structure file under the "receptor" folder (name is formed with columns 01,02: i.e., 0102.pdb) 2. the corresponding ligand structure file under the "ligand" folder (name is formed with columns 01,05,06,07: i.e., 01_05_06_07.pdb) For example, the complex structure for the above example can be obtained using the two files: 1. 966cA.pdb under the "receptor" folder 2. 966c_RS2_A_1.pdb under the "ligand" folder Please kindly cite the following article if you use BioLiP: Jianyi Yang, Ambrish Roy, Yang Zhang, BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41:D1096-D1103, 2013.