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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP
Download all results in tab-seperated text for 51 receptor-ligand interactions, whose format is explained at readme.txt.
  • Hover over PDB to view the title of the structure. Click PDB to view the structure at the RCSB PDB database. Resolution -1.00 means the resolution is unavailable, e.g., for NMR structures.
  • Click Site # to view the binding site structure. Hover over Site # to view the binding residues.
  • Hover over Ligand to view the full ligand name. Click Ligand to view the 2D diagram and other detail information of the ligand.
  • Hover over EC number to view the full name of enzymatic activity.
  • Hover over GO terms to view all GO terms.
  • Hover over UniProt to view the protein name.
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    # PDB
    (Resolution Å)
    Site # Ligand EC number GO terms UniProt PubMed Binding
    affinity
    1 1iep:A (2.1) BS01 STI 2.7.10.2 GO:0004672 ... P00520 12154025 MOAD: ic50=100nM
    PDBbind: -logKd/Ki=7.00, IC50=100nM
    BindingDB: IC50=10.8nM
    2 1iep:B (2.1) BS01 STI 2.7.10.2 GO:0004672 ... P00520 12154025 MOAD: ic50=100nM
    BindingDB: IC50=10.8nM
    3 1opj:A (1.75) BS01 STI 2.7.10.2 GO:0004672 ... P00520 12654251 BindingDB: IC50=10.8nM
    4 1opj:B (1.75) BS01 STI 2.7.10.2 GO:0004672 ... P00520 12654251 BindingDB: IC50=10.8nM
    5 1t46:A (1.6) BS01 STI 2.7.10.1 GO:0004672 ... P10721 15123710 PDBbind: -logKd/Ki=6.43, IC50=0.37uM
    BindingDB: IC50=100nM, Kd=15nM, Ki=14nM, EC50=100nM
    6 1xbb:A (1.57) BS01 STI 2.7.10.2 GO:0004672 ... P43405 15507431 MOAD: Ki=5uM
    PDBbind: -logKd/Ki=5.30, Ki=5.0uM
    BindingDB: Ki=5000nM, Kd=>10000nM, IC50=>10000nM
    7 2hyy:A (2.4) BS01 STI 2.7.10.2 GO:0004672 ... P00519 17164530 MOAD: ic50=170nM
    PDBbind: -logKd/Ki=6.77, IC50=170nM
    BindingDB: IC50=38nM, Kd=44nM, Ki=13nM, EC50=7e+1nM
    8 2hyy:B (2.4) BS01 STI 2.7.10.2 GO:0004672 ... P00519 17164530 MOAD: ic50=170nM
    BindingDB: IC50=38nM, Kd=44nM, Ki=13nM, EC50=7e+1nM
    9 2hyy:C (2.4) BS01 STI 2.7.10.2 GO:0004672 ... P00519 17164530 MOAD: ic50=170nM
    BindingDB: IC50=38nM, Kd=44nM, Ki=13nM, EC50=7e+1nM
    10 2hyy:D (2.4) BS01 STI 2.7.10.2 GO:0004672 ... P00519 17164530 MOAD: ic50=170nM
    BindingDB: IC50=38nM, Kd=44nM, Ki=13nM, EC50=7e+1nM
    11 2oiq:A (2.07) BS01 STI 2.7.10.2 GO:0004672 ... P00523 17355866 MOAD: Kd=42uM
    PDBbind: -logKd/Ki=5.00, Kd=10uM
    BindingDB: IC50=2784nM
    12 2pl0:A (2.8) BS01 STI 2.7.10.2 GO:0004672 ... P06239 17910071 PDBbind: -logKd/Ki=7.21, Kd=0.062uM
    BindingDB: Kd=40nM, IC50=320nM, Ki=6893nM
    13 3fw1:A (1.75) BS03 STI 1.10.5.1 GO:0001512 ... P16083 19236722 MOAD: ic50=80nM
    BindingDB: IC50=400nM, Ki=39nM
    14 3gvu:A (2.05) BS01 STI 2.7.10.2 GO:0004672 ... P42684 N/A PDBbind: -logKd/Ki=8.00, Kd=10nM
    BindingDB: Kd=10nM, IC50=272nM
    15 3gvu:A (2.05) BS02 STI 2.7.10.2 GO:0004672 ... P42684 N/A PDBbind: -logKd/Ki=8.00, Kd=10nM
    BindingDB: Kd=10nM, IC50=272nM
    16 3hec:A (2.5) BS01 STI 2.7.11.24 GO:0000077 ... Q16539 20337484 MOAD: Kd=34uM
    PDBbind: -logKd/Ki=4.47, Kd=34.0uM
    BindingDB: Kd=>10000nM, IC50=100000nM
    17 3k5v:A (1.74) BS02 STI 2.7.10.2 GO:0004672 ... P00520 20072125 BindingDB: IC50=10.8nM
    18 3k5v:B (1.74) BS02 STI 2.7.10.2 GO:0004672 ... P00520 20072125 BindingDB: IC50=10.8nM
    19 3ms9:A (1.8) BS01 STI 2.7.10.2 GO:0004672 ... P00520 20450175 BindingDB: IC50=10.8nM
    20 3ms9:B (1.8) BS01 STI 2.7.10.2 GO:0004672 ... P00520 20450175 BindingDB: IC50=10.8nM
    21 3mss:A (1.95) BS01 STI 2.7.10.2 GO:0004672 ... P00520 20450175 BindingDB: IC50=10.8nM
    22 3mss:B (1.95) BS01 STI 2.7.10.2 GO:0004672 ... P00520 20450175 BindingDB: IC50=10.8nM
    23 3mss:C (1.95) BS01 STI 2.7.10.2 GO:0004672 ... P00520 20450175 BindingDB: IC50=10.8nM
    24 3mss:D (1.95) BS01 STI 2.7.10.2 GO:0004672 ... P00520 20450175 BindingDB: IC50=10.8nM
    25 3oez:A (2.4) BS01 STI 2.7.10.2 GO:0004672 ... P00523 N/A BindingDB: IC50=2784nM
    26 3oez:B (2.4) BS01 STI 2.7.10.2 GO:0004672 ... P00523 N/A BindingDB: IC50=2784nM
    27 3pyy:A (1.85) BS01 STI 2.7.10.2 GO:0004672 ... P00519 21338916 BindingDB: IC50=38nM, Kd=44nM, Ki=13nM, EC50=7e+1nM
    28 3pyy:B (1.85) BS01 STI 2.7.10.2 GO:0004672 ... P00519 21338916 BindingDB: IC50=38nM, Kd=44nM, Ki=13nM, EC50=7e+1nM
    29 4bkj:A (1.7) BS01 STI 2.7.10.1 GO:0004672 ... Q08345 24768818 MOAD: Kd=1.9nM
    PDBbind: -logKd/Ki=8.72, Kd=1.9nM
    BindingDB: IC50=337nM, Kd=0.700000nM
    30 4bkj:B (1.7) BS01 STI 2.7.10.1 GO:0004672 ... Q08345 24768818 MOAD: Kd=1.9nM
    BindingDB: IC50=337nM, Kd=0.700000nM
    31 4csv:A (2.05) BS01 STI N/A GO:0004672 ... N/A 25700521 MOAD: Ki=910nM
    32 4r7i:A (2.75) BS01 STI 2.7.10.1 GO:0004672 ... P07333 26222558 BindingDB: Kd=19nM, IC50=291nM
    33 5mqt:A (3.2) BS02 STI 2.7.1.113
    2.7.1.74
    2.7.1.76
    GO:0004136 ... P27707 29127277 PDBbind: -logKd/Ki=5.70, Kd=2uM
    34 5mqt:C (3.2) BS02 STI 2.7.1.113
    2.7.1.74
    2.7.1.76
    GO:0004136 ... P27707 29127277
    35 6hd4:A (2.03) BS02 STI 2.7.10.2 GO:0004672 ... P00520 30137981 BindingDB: IC50=10.8nM
    36 6hd4:B (2.03) BS02 STI 2.7.10.2 GO:0004672 ... P00520 30137981 BindingDB: IC50=10.8nM
    37 6hd6:A (2.3) BS02 STI 2.7.10.2 GO:0004672 ... P00520 30137981 BindingDB: IC50=10.8nM
    38 6hd6:B (2.3) BS01 STI 2.7.10.2 GO:0004672 ... P00520 30137981 BindingDB: IC50=10.8nM
    39 6jol:A (1.9) BS01 STI 2.7.10.1 GO:0004672 ... P16234 N/A BindingDB: Kd=31nM, IC50=642nM, Ki=2nM, EC50=90nM
    40 6ktn:A (2.752) BS02 STI ? GO:0003677 ... P37231 31581474
    41 6npe:A (2.15) BS01 STI 2.7.10.2 GO:0004672 ... P00519 30689376 BindingDB: IC50=38nM, Kd=44nM, Ki=13nM, EC50=7e+1nM
    42 6npe:B (2.15) BS01 STI 2.7.10.2 GO:0004672 ... P00519 30689376 BindingDB: IC50=38nM, Kd=44nM, Ki=13nM, EC50=7e+1nM
    43 6npu:A (2.33) BS01 STI 2.7.10.2 GO:0004672 ... P00519 30689376 BindingDB: IC50=38nM, Kd=44nM, Ki=13nM, EC50=7e+1nM
    44 6npu:B (2.33) BS01 STI 2.7.10.2 GO:0004672 ... P00519 30689376 BindingDB: IC50=38nM, Kd=44nM, Ki=13nM, EC50=7e+1nM
    45 6npv:A (1.86) BS01 STI 2.7.10.2 GO:0004672 ... P00519 30689376 BindingDB: IC50=38nM, Kd=44nM, Ki=13nM, EC50=7e+1nM
    46 6npv:B (1.86) BS01 STI 2.7.10.2 GO:0004672 ... P00519 30689376 BindingDB: IC50=38nM, Kd=44nM, Ki=13nM, EC50=7e+1nM
    47 6vxh:A (4.0) BS02 STI 7.6.2.2 GO:0005515 ... Q9UNQ0 32385283 BindingDB: IC50=3380nM
    48 6vxh:B (4.0) BS01 STI 7.6.2.2 GO:0005515 ... Q9UNQ0 32385283 BindingDB: IC50=3380nM
    49 7n9g:A (2.2) BS01 STI 2.7.10.2 GO:0004672 ... P00519 34774565
    50 7n9g:B (2.2) BS01 STI 2.7.10.2 GO:0004672 ... P00519 34774565
    51 7n9g:C (2.2) BS01 STI 2.7.10.2 GO:0004672 ... P00519 34774565

    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).
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