ÿþ<title> Protein-Ligand Dataset </title> Dataset of 140 {Protein Chain, Ligand Residue} pairs used in the study of the relationship between protein-protein sequence identity and ligand-ligand molecular similarity. <br> <br> <pre> PDB Chain Ligand 1a17 CST 1a17 FMN 1a7d CFO 1a7e OFO 1a7v A HEM 1aca COA 1aca PLY 1ae7 SO4 1agm ACR 1agm ASL 1agm MAN 1aig M BCL 1aig M BPH 1aig M U10 1aij M LDA 1alu SO4 1alu TAR 1aok B ACT 1ar1 A HEA 1ar1 A LDA 1au1 A FUC 1au1 A GLC 1au1 A MAN 1ayp A INB 1ayx TRS 1b4w A BOG 1b5l SO4 1bcf A HEM 1bdj B SO4 1be3 C HEM 1bk6 A ALA 1bk6 A ARG 1bk6 A LYS 1bk6 A VAL 1bk9 BU1 1bk9 PBP 1bmf A ANP 1bp2 MPD 1buc A FAD 1byt 4NC 1cb8 A GOL 1d8d A FII 1d8e A ILE 1d8e A LYS 1d8e A MET 1db4 A SIN 1dcn D AS1 1dcy A I3N 1dky A LEU 1dog AS1 1dog AS2 1dog GLC 1dog NOJ 1ecm A TSA 1ee4 A LEU 1ee4 A PRO 1egc A CO8 1elr A ACE 1elr A ASP 1elr A GLU 1elr A MET 1elr A VAL 1elw A GLY 1elw A ILE 1elw A PRO 1elw A THR 1elw A TRS 1fap B RAP 1fdk GLE 1fgj A HEC 1fgj A HEM 1fpp A PO4 1fuo A CIT 1fup A PMA 1gah NAG 1gai GAC 1hmo A OXY 1hrs PP9 1ivh A COS 1jsw A GLC 1kny A APC 1kny A KAN 1kvo A OAP 1mab A ATP 1mps M SPN 1mro B COM 1mro B TP7 1nbb A NBN 1ng1 ACY 1ng1 EDO 1nsg B RPX 1ocz A AZI 1pcr M SPO 1pcr M PO4 1ppa ANL 1ppr M CLA 1ppr M DGD 1ppr M PID 1prc L UQ1 1prc M BPB 1prc M MQ7 1prc M NS1 1prc M SO4 1pss M CRT 1qbq A MSE 1qgu D EDO 1qgu D MO2 1qle A PC2 1qle C PC2 1qov M CDL 1qsa A ACT 1qsa A GOL 1qsa A SO4 1rcc BET 1sqc LDA 1vnc AZI 1vns SO4 256b A SO4 2erl EOH 2fap B RAD 2hmz A ACT 2hmz A FEA 2lig A ASP 2lig A PHN 2lig A SO4 2mhr AZI 2mhr FEO 2mhr SO4 2prc L UQ2 2prc M 7MQ 2prc M BCB 2prc M NS5 2sqc A C8E 3bct URE 4prc L SMA 4rcr M BOG 5p2p A DHG 5prc L ATZ 6prc L CEB 7prc L CET </pre> <p> More details of the proteins and ligands described by these reference codes can be found in Dr Roman Laskowski's <a href="http://www.ebi.ac.uk/pdbsum/">PDBsum</a> database at EBI. <p> The definitions used for the bit strings describing the ligand residues are <a href="bitstring.html">here</a>. </html>