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●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●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 105 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 1jyx:A (1.75) BS06 IPT 3.2.1.23 GO:0000287 ... P00722 11732897 BindingDB: Ki=7.6e+4nM
    2 1jyx:A (1.75) BS07 IPT 3.2.1.23 GO:0000287 ... P00722 11732897 BindingDB: Ki=7.6e+4nM
    3 1jyx:B (1.75) BS07 IPT 3.2.1.23 GO:0000287 ... P00722 11732897 BindingDB: Ki=7.6e+4nM
    4 1jyx:C (1.75) BS07 IPT 3.2.1.23 GO:0000287 ... P00722 11732897 BindingDB: Ki=7.6e+4nM
    5 1jyx:D (1.75) BS06 IPT 3.2.1.23 GO:0000287 ... P00722 11732897 BindingDB: Ki=7.6e+4nM
    6 1jyx:D (1.75) BS07 IPT 3.2.1.23 GO:0000287 ... P00722 11732897 BindingDB: Ki=7.6e+4nM
    7 1kru:A (2.8) BS02 IPT 2.3.1.18 GO:0005737 ... P07464 11937062
    8 1kru:A (2.8) BS03 IPT 2.3.1.18 GO:0005737 ... P07464 11937062
    9 1kru:A (2.8) BS04 IPT 2.3.1.18 GO:0005737 ... P07464 11937062
    10 1kru:A (2.8) BS05 IPT 2.3.1.18 GO:0005737 ... P07464 11937062
    11 1kru:B (2.8) BS03 IPT 2.3.1.18 GO:0005737 ... P07464 11937062
    12 1kru:B (2.8) BS04 IPT 2.3.1.18 GO:0005737 ... P07464 11937062
    13 1kru:B (2.8) BS05 IPT 2.3.1.18 GO:0005737 ... P07464 11937062
    14 1kru:C (2.8) BS01 IPT 2.3.1.18 GO:0005737 ... P07464 11937062
    15 1kru:C (2.8) BS02 IPT 2.3.1.18 GO:0005737 ... P07464 11937062
    16 1kru:C (2.8) BS05 IPT 2.3.1.18 GO:0005737 ... P07464 11937062
    17 1lbh:A (3.2) BS01 IPT ? GO:0000976 ... P03023 8638105
    18 1lbh:B (3.2) BS01 IPT ? GO:0000976 ... P03023 8638105
    19 1lbh:C (3.2) BS01 IPT ? GO:0000976 ... P03023 8638105
    20 1lbh:D (3.2) BS01 IPT ? GO:0000976 ... P03023 8638105
    21 1na0:B (1.6) BS01 IPT N/A N/A N/A 12737816
    22 1na0:B (1.6) BS02 IPT N/A N/A N/A 12737816
    23 1na3:A (1.55) BS01 IPT N/A N/A N/A 12737816
    24 1na3:B (1.55) BS01 IPT N/A N/A N/A 12737816
    25 1px4:A (1.6) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 14621996 MOAD: Ki=0.59mM
    PDBbind: -logKd/Ki=3.23, Ki=0.59mM
    BindingDB: Ki=7.6e+4nM
    26 1px4:B (1.6) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 14621996 MOAD: Ki=0.59mM
    BindingDB: Ki=7.6e+4nM
    27 1px4:C (1.6) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 14621996 MOAD: Ki=0.59mM
    BindingDB: Ki=7.6e+4nM
    28 1px4:D (1.6) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 14621996 MOAD: Ki=0.59mM
    PDBbind: -logKd/Ki=3.23, Ki=0.59mM
    BindingDB: Ki=7.6e+4nM
    29 1tlf:A (2.6) BS01 IPT ? N/A P03023 7792597
    30 1tlf:B (2.6) BS01 IPT ? N/A P03023 7792597
    31 1tlf:C (2.6) BS01 IPT ? N/A P03023 7792597
    32 1tlf:D (2.6) BS01 IPT ? N/A P03023 7792597
    33 2p9h:A (2.0) BS01 IPT ? N/A P03023 17543986
    34 2p9h:B (2.0) BS01 IPT ? N/A P03023 17543986
    35 3dyo:A (1.8) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 19472413 MOAD: Ki=5mM
    PDBbind: -logKd/Ki=2.30, Ki=5.0mM
    BindingDB: Ki=7.6e+4nM
    36 3dyo:A (1.8) BS04 IPT 3.2.1.23 GO:0000287 ... P00722 19472413 MOAD: Ki=5mM
    PDBbind: -logKd/Ki=2.30, Ki=5.0mM
    BindingDB: Ki=7.6e+4nM
    37 3dyo:A (1.8) BS05 IPT 3.2.1.23 GO:0000287 ... P00722 19472413 MOAD: Ki=5mM
    PDBbind: -logKd/Ki=2.30, Ki=5.0mM
    BindingDB: Ki=7.6e+4nM
    38 3dyo:A (1.8) BS06 IPT 3.2.1.23 GO:0000287 ... P00722 19472413 MOAD: Ki=5mM
    PDBbind: -logKd/Ki=2.30, Ki=5.0mM
    BindingDB: Ki=7.6e+4nM
    39 3dyo:B (1.8) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 19472413 MOAD: Ki=5mM
    BindingDB: Ki=7.6e+4nM
    40 3dyo:B (1.8) BS04 IPT 3.2.1.23 GO:0000287 ... P00722 19472413 MOAD: Ki=5mM
    BindingDB: Ki=7.6e+4nM
    41 3dyo:B (1.8) BS05 IPT 3.2.1.23 GO:0000287 ... P00722 19472413 MOAD: Ki=5mM
    BindingDB: Ki=7.6e+4nM
    42 3dyo:C (1.8) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 19472413 MOAD: Ki=5mM
    BindingDB: Ki=7.6e+4nM
    43 3dyo:C (1.8) BS04 IPT 3.2.1.23 GO:0000287 ... P00722 19472413 MOAD: Ki=5mM
    BindingDB: Ki=7.6e+4nM
    44 3dyo:C (1.8) BS05 IPT 3.2.1.23 GO:0000287 ... P00722 19472413 MOAD: Ki=5mM
    BindingDB: Ki=7.6e+4nM
    45 3dyo:D (1.8) BS01 IPT 3.2.1.23 GO:0000287 ... P00722 19472413 MOAD: Ki=5mM
    PDBbind: -logKd/Ki=2.30, Ki=5.0mM
    BindingDB: Ki=7.6e+4nM
    46 3dyo:D (1.8) BS04 IPT 3.2.1.23 GO:0000287 ... P00722 19472413 MOAD: Ki=5mM
    PDBbind: -logKd/Ki=2.30, Ki=5.0mM
    BindingDB: Ki=7.6e+4nM
    47 3dyo:D (1.8) BS05 IPT 3.2.1.23 GO:0000287 ... P00722 19472413 MOAD: Ki=5mM
    PDBbind: -logKd/Ki=2.30, Ki=5.0mM
    BindingDB: Ki=7.6e+4nM
    48 3dyo:D (1.8) BS06 IPT 3.2.1.23 GO:0000287 ... P00722 19472413 MOAD: Ki=5mM
    PDBbind: -logKd/Ki=2.30, Ki=5.0mM
    BindingDB: Ki=7.6e+4nM
    49 3i3d:A (2.2) BS01 IPT 3.2.1.23 GO:0000287 ... P00722 20921997 MOAD: Ki=10.3mM
    PDBbind: -logKd/Ki=1.99, Ki=10.3mM
    BindingDB: Ki=7.6e+4nM
    50 3i3d:A (2.2) BS02 IPT 3.2.1.23 GO:0000287 ... P00722 20921997 MOAD: Ki=10.3mM
    PDBbind: -logKd/Ki=1.99, Ki=10.3mM
    BindingDB: Ki=7.6e+4nM
    51 3i3d:B (2.2) BS01 IPT 3.2.1.23 GO:0000287 ... P00722 20921997 MOAD: Ki=10.3mM
    BindingDB: Ki=7.6e+4nM
    52 3i3d:C (2.2) BS01 IPT 3.2.1.23 GO:0000287 ... P00722 20921997 MOAD: Ki=10.3mM
    BindingDB: Ki=7.6e+4nM
    53 3i3d:D (2.2) BS01 IPT 3.2.1.23 GO:0000287 ... P00722 20921997 MOAD: Ki=10.3mM
    PDBbind: -logKd/Ki=1.99, Ki=10.3mM
    BindingDB: Ki=7.6e+4nM
    54 3i3d:D (2.2) BS02 IPT 3.2.1.23 GO:0000287 ... P00722 20921997 MOAD: Ki=10.3mM
    PDBbind: -logKd/Ki=1.99, Ki=10.3mM
    BindingDB: Ki=7.6e+4nM
    55 3muz:1 (1.9) BS01 IPT 3.2.1.23 GO:0000287 ... P00722 N/A PDBbind: -logKd/Ki=3.46, Ki=0.35mM
    BindingDB: Ki=7.6e+4nM
    56 3muz:1 (1.9) BS02 IPT 3.2.1.23 GO:0000287 ... P00722 N/A PDBbind: -logKd/Ki=3.46, Ki=0.35mM
    BindingDB: Ki=7.6e+4nM
    57 3muz:2 (1.9) BS01 IPT 3.2.1.23 GO:0000287 ... P00722 N/A BindingDB: Ki=7.6e+4nM
    58 3muz:2 (1.9) BS02 IPT 3.2.1.23 GO:0000287 ... P00722 N/A BindingDB: Ki=7.6e+4nM
    59 3muz:3 (1.9) BS01 IPT 3.2.1.23 GO:0000287 ... P00722 N/A BindingDB: Ki=7.6e+4nM
    60 3muz:3 (1.9) BS02 IPT 3.2.1.23 GO:0000287 ... P00722 N/A BindingDB: Ki=7.6e+4nM
    61 3muz:4 (1.9) BS01 IPT 3.2.1.23 GO:0000287 ... P00722 N/A PDBbind: -logKd/Ki=3.46, Ki=0.35mM
    BindingDB: Ki=7.6e+4nM
    62 3muz:4 (1.9) BS02 IPT 3.2.1.23 GO:0000287 ... P00722 N/A PDBbind: -logKd/Ki=3.46, Ki=0.35mM
    BindingDB: Ki=7.6e+4nM
    63 3ogs:A (1.75) BS05 IPT 3.2.1.23 GO:0004553 ... Q70SY0 21130883
    64 3t08:A (2.0) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 22155115 MOAD: Ki=0.91mM
    PDBbind: -logKd/Ki=3.04, Ki=0.91mM
    BindingDB: Ki=7.6e+4nM
    65 3t08:B (2.0) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 22155115 MOAD: Ki=0.91mM
    BindingDB: Ki=7.6e+4nM
    66 3t08:C (2.0) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 22155115 MOAD: Ki=0.91mM
    BindingDB: Ki=7.6e+4nM
    67 3t08:D (2.0) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 22155115 MOAD: Ki=0.91mM
    PDBbind: -logKd/Ki=3.04, Ki=0.91mM
    BindingDB: Ki=7.6e+4nM
    68 3t0b:A (2.4) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 22155115 MOAD: Ki=0.05mM
    PDBbind: -logKd/Ki=4.30, Ki=0.05mM
    BindingDB: Ki=7.6e+4nM
    69 3t0b:B (2.4) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 22155115 MOAD: Ki=0.05mM
    BindingDB: Ki=7.6e+4nM
    70 3t0b:C (2.4) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 22155115 MOAD: Ki=0.05mM
    BindingDB: Ki=7.6e+4nM
    71 3t0b:D (2.4) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 22155115 MOAD: Ki=0.05mM
    PDBbind: -logKd/Ki=4.30, Ki=0.05mM
    BindingDB: Ki=7.6e+4nM
    72 3t2p:A (2.6) BS01 IPT 3.2.1.23 GO:0000287 ... P00722 22155115 PDBbind: -logKd/Ki=3.60, Ki=0.25mM
    BindingDB: Ki=7.6e+4nM
    73 3t2p:B (2.6) BS01 IPT 3.2.1.23 GO:0000287 ... P00722 22155115 BindingDB: Ki=7.6e+4nM
    74 3t2p:C (2.6) BS01 IPT 3.2.1.23 GO:0000287 ... P00722 22155115 BindingDB: Ki=7.6e+4nM
    75 3t2p:D (2.6) BS01 IPT 3.2.1.23 GO:0000287 ... P00722 22155115 PDBbind: -logKd/Ki=3.60, Ki=0.25mM
    BindingDB: Ki=7.6e+4nM
    76 3vd4:A (2.0) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 22446164 MOAD: Ki=0.015mM
    PDBbind: -logKd/Ki=4.82, Ki=0.015mM
    BindingDB: Ki=7.6e+4nM
    77 3vd4:B (2.0) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 22446164 MOAD: Ki=0.015mM
    BindingDB: Ki=7.6e+4nM
    78 3vd4:C (2.0) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 22446164 MOAD: Ki=0.015mM
    BindingDB: Ki=7.6e+4nM
    79 3vd4:D (2.0) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 22446164 MOAD: Ki=0.015mM
    PDBbind: -logKd/Ki=4.82, Ki=0.015mM
    BindingDB: Ki=7.6e+4nM
    80 3vd9:A (2.05) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 22446164 MOAD: Ki=0.1mM
    PDBbind: -logKd/Ki=4.00, Ki=0.10mM
    BindingDB: Ki=7.6e+4nM
    81 3vd9:B (2.05) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 22446164 MOAD: Ki=0.1mM
    BindingDB: Ki=7.6e+4nM
    82 3vd9:C (2.05) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 22446164 MOAD: Ki=0.1mM
    BindingDB: Ki=7.6e+4nM
    83 3vd9:D (2.05) BS03 IPT 3.2.1.23 GO:0000287 ... P00722 22446164 MOAD: Ki=0.1mM
    PDBbind: -logKd/Ki=4.00, Ki=0.10mM
    BindingDB: Ki=7.6e+4nM
    84 3vdc:A (2.55) BS01 IPT 3.2.1.23 GO:0000287 ... P00722 22446164 PDBbind: -logKd/Ki=4.92, Ki=0.012mM
    BindingDB: Ki=7.6e+4nM
    85 3vdc:B (2.55) BS01 IPT 3.2.1.23 GO:0000287 ... P00722 22446164 BindingDB: Ki=7.6e+4nM
    86 3vdc:C (2.55) BS01 IPT 3.2.1.23 GO:0000287 ... P00722 22446164 BindingDB: Ki=7.6e+4nM
    87 3vdc:D (2.55) BS01 IPT 3.2.1.23 GO:0000287 ... P00722 22446164 PDBbind: -logKd/Ki=4.92, Ki=0.012mM
    BindingDB: Ki=7.6e+4nM
    88 3vt2:A (3.002) BS01 IPT ? GO:0004553 ... A3DD67 22960181
    89 3vt2:B (3.002) BS01 IPT ? GO:0004553 ... A3DD67 22960181
    90 3vt2:C (3.002) BS01 IPT ? GO:0004553 ... A3DD67 22960181
    91 3vt2:D (3.002) BS01 IPT ? GO:0004553 ... A3DD67 22960181
    92 3vt2:E (3.002) BS01 IPT ? GO:0004553 ... A3DD67 22960181
    93 3vt2:F (3.002) BS01 IPT ? GO:0004553 ... A3DD67 22960181
    94 3vt2:F (3.002) BS02 IPT ? GO:0004553 ... A3DD67 22960181
    95 4oue:A (2.35) BS01 IPT 3.2.1.111 GO:0004560 ... Q8A5P6 24527659 PDBbind: -logKd/Ki=3.30, Ki>500uM
    96 4oue:B (2.35) BS01 IPT 3.2.1.111 GO:0004560 ... Q8A5P6 24527659
    97 5bp5:A (2.18) BS01 IPT ? N/A Q45871 26272706
    98 5bp5:B (2.18) BS01 IPT ? N/A Q45871 26272706
    99 6kki:A (3.064) BS01 IPT ? GO:0005886 ... P31122 33280821
    100 6seb:A (2.272) BS01 IPT 3.2.1.23 GO:0003824 ... A0A023UGN9 31484304
    101 6seb:A (2.272) BS02 IPT 3.2.1.23 GO:0003824 ... A0A023UGN9 31484304
    102 7nl2:A (1.8) BS01 IPT 3.2.1.8 GO:0004553 ... F7YXD6 N/A
    103 7nl2:B (1.8) BS01 IPT 3.2.1.8 GO:0004553 ... F7YXD6 N/A
    104 8bbi:A (2.1) BS01 IPT 3.2.1.8 GO:0004553 ... F7YXD6 N/A
    105 8bbi:B (2.1) BS01 IPT 3.2.1.8 GO:0004553 ... F7YXD6 N/A
    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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