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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 2ht7:A (2.6) BS01 G39 3.2.1.18 GO:0004308 ... Q07599 16915235 BindingDB: IC50=8.9nM
    2 2ht8:A (2.4) BS01 G39 3.2.1.18 GO:0004308 ... Q07599 16915235 BindingDB: IC50=8.9nM
    3 2hu0:B (2.95) BS01 G39 3.2.1.18 GO:0004308 ... Q6DPL2 16915235
    4 2hu4:A (2.5) BS01 G39 3.2.1.18 GO:0004308 ... Q6DPL2 16915235
    5 2hu4:B (2.5) BS01 G39 3.2.1.18 GO:0004308 ... Q6DPL2 16915235
    6 2hu4:C (2.5) BS01 G39 3.2.1.18 GO:0004308 ... Q6DPL2 16915235
    7 2hu4:D (2.5) BS01 G39 3.2.1.18 GO:0004308 ... Q6DPL2 16915235
    8 2hu4:E (2.5) BS01 G39 3.2.1.18 GO:0004308 ... Q6DPL2 16915235
    9 2hu4:F (2.5) BS01 G39 3.2.1.18 GO:0004308 ... Q6DPL2 16915235
    10 2hu4:G (2.5) BS01 G39 3.2.1.18 GO:0004308 ... Q6DPL2 16915235
    11 2hu4:H (2.5) BS01 G39 3.2.1.18 GO:0004308 ... Q6DPL2 16915235
    12 2qwh:A (1.8) BS01 G39 3.2.1.18 GO:0004308 ... P03472 9655825 MOAD: ic50=13uM
    13 2qwk:A (1.8) BS01 G39 3.2.1.18 GO:0004308 ... P03472 9655825 MOAD: ic50=0.002uM
    14 2ya8:A (1.75) BS01 G39 3.2.1.18 GO:0004308 ... P62575 21514303 MOAD: Ki=1.77uM
    PDBbind: -logKd/Ki=5.75, Ki=1.77uM
    BindingDB: Ki=1.77e+3nM
    15 2ya8:B (1.75) BS01 G39 3.2.1.18 GO:0004308 ... P62575 21514303 MOAD: Ki=1.77uM
    BindingDB: Ki=1.77e+3nM
    16 3cl0:A (2.2) BS01 G39 3.2.1.18 GO:0004308 ... Q6DPL2 18480754 MOAD: Ki=84.8nM
    PDBbind: -logKd/Ki=7.07, Ki=84.8nM
    17 3cl2:A (2.538) BS01 G39 3.2.1.18 GO:0004308 ... Q6DPL2 18480754 PDBbind: -logKd/Ki=7.59, Ki=25.9nM
    18 3cl2:B (2.538) BS01 G39 3.2.1.18 GO:0004308 ... Q6DPL2 18480754
    19 3cl2:C (2.538) BS01 G39 3.2.1.18 GO:0004308 ... Q6DPL2 18480754
    20 3cl2:D (2.538) BS01 G39 3.2.1.18 GO:0004308 ... Q6DPL2 18480754
    21 3cl2:E (2.538) BS01 G39 3.2.1.18 GO:0004308 ... Q6DPL2 18480754
    22 3cl2:F (2.538) BS01 G39 3.2.1.18 GO:0004308 ... Q6DPL2 18480754
    23 3cl2:G (2.538) BS01 G39 3.2.1.18 GO:0004308 ... Q6DPL2 18480754
    24 3cl2:H (2.538) BS01 G39 3.2.1.18 GO:0004308 ... Q6DPL2 18480754
    25 3k3a:A (2.59) BS02 G39 3.2.1.18 GO:0004308 ... Q3S340 20695427 PDBbind: -logKd/Ki=7.08, Ki=84.0nM
    26 3k3a:B (2.59) BS02 G39 3.2.1.18 GO:0004308 ... Q3S340 20695427
    27 3k3a:C (2.59) BS02 G39 3.2.1.18 GO:0004308 ... Q3S340 20695427
    28 3k3a:D (2.59) BS02 G39 3.2.1.18 GO:0004308 ... Q3S340 20695427
    29 3k3a:E (2.59) BS02 G39 3.2.1.18 GO:0004308 ... Q3S340 20695427
    30 3k3a:F (2.59) BS02 G39 3.2.1.18 GO:0004308 ... Q3S340 20695427
    31 3k3a:G (2.59) BS02 G39 3.2.1.18 GO:0004308 ... Q3S340 20695427
    32 3k3a:H (2.59) BS02 G39 3.2.1.18 GO:0004308 ... Q3S340 20695427
    33 3k3a:I (2.59) BS02 G39 3.2.1.18 GO:0004308 ... Q3S340 20695427
    34 3k3a:J (2.59) BS02 G39 3.2.1.18 GO:0004308 ... Q3S340 20695427
    35 3k3a:K (2.59) BS02 G39 3.2.1.18 GO:0004308 ... Q3S340 20695427
    36 3k3a:L (2.59) BS02 G39 3.2.1.18 GO:0004308 ... Q3S340 20695427
    37 3k3a:M (2.59) BS02 G39 3.2.1.18 GO:0004308 ... Q3S340 20695427
    38 3k3a:N (2.59) BS02 G39 3.2.1.18 GO:0004308 ... Q3S340 20695427
    39 3k3a:O (2.59) BS02 G39 3.2.1.18 GO:0004308 ... Q3S340 20695427
    40 3k3a:P (2.59) BS02 G39 3.2.1.18 GO:0004308 ... Q3S340 20695427
    41 3ti6:A (1.69) BS03 G39 3.2.1.18 GO:0004308 ... C3W5S3 22028647 MOAD: ic50=0.54nM
    PDBbind: -logKd/Ki=9.27, IC50=0.54nM
    42 3ti6:B (1.69) BS03 G39 3.2.1.18 GO:0004308 ... C3W5S3 22028647 MOAD: ic50=0.54nM
    43 4b7j:A (2.417) BS02 G39 3.2.1.18 GO:0004308 ... F8UU09 23028314 MOAD: Ki=11.1nM
    PDBbind: -logKd/Ki=7.95, Ki=11.1nM
    44 4b7r:A (1.9) BS03 G39 3.2.1.18 GO:0004308 ... C7FH46 23028314 MOAD: Ki=0.23nM
    PDBbind: -logKd/Ki=9.64, Ki=0.23nM
    45 4b7r:B (1.9) BS03 G39 3.2.1.18 GO:0004308 ... C7FH46 23028314 MOAD: Ki=0.23nM
    46 4b7r:C (1.9) BS03 G39 3.2.1.18 GO:0004308 ... C7FH46 23028314 MOAD: Ki=0.23nM
    47 4b7r:D (1.9) BS03 G39 3.2.1.18 GO:0004308 ... C7FH46 23028314 MOAD: Ki=0.23nM
    48 4cpm:A (2.75) BS02 G39 3.2.1.18 GO:0004308 ... C0LT34 24795482
    49 4cpm:B (2.75) BS02 G39 3.2.1.18 GO:0004308 ... C0LT34 24795482
    50 4cpy:A (1.8) BS02 G39 3.2.1.18 GO:0004308 ... U5XBU0 24795482 MOAD: Ki=491.35nM
    PDBbind: -logKd/Ki=6.31, Ki=491.35nM
    51 4cpy:B (1.8) BS02 G39 3.2.1.18 GO:0004308 ... U5XBU0 24795482 MOAD: Ki=491.35nM
    52 4gzp:A (2.3) BS02 G39 3.2.1.18 GO:0004308 ... K7N5N3 23015718 MOAD: Ki=14.3nM
    PDBbind: -logKd/Ki=7.84, Ki=14.3nM
    53 4gzt:A (2.19) BS02 G39 3.2.1.18 GO:0004308 ... K7N5N3 23015718 MOAD: Ki=17nM
    PDBbind: -logKd/Ki=7.77, Ki=17.0nM
    54 4gzt:B (2.19) BS02 G39 3.2.1.18 GO:0004308 ... K7N5N3 23015718 MOAD: Ki=17nM
    55 4gzt:C (2.19) BS02 G39 3.2.1.18 GO:0004308 ... K7N5N3 23015718 MOAD: Ki=17nM
    56 4gzt:D (2.19) BS03 G39 3.2.1.18 GO:0004308 ... K7N5N3 23015718 MOAD: Ki=17nM
    57 4hzx:A (2.2) BS02 G39 3.2.1.18 GO:0004308 ... A9YN63 23824808 MOAD: ic50=0.5nM
    PDBbind: -logKd/Ki=9.30, IC50=0.5nM
    58 4hzz:A (1.601) BS02 G39 3.2.1.18 GO:0004308 ... A9YN63 23824808 MOAD: ic50=8.31nM
    PDBbind: -logKd/Ki=8.08, IC50=8.31nM
    59 4k1i:A (1.8) BS02 G39 3.2.1.18 GO:0004308 ... Q194T1 23531861
    60 4k1i:B (1.8) BS04 G39 3.2.1.18 GO:0004308 ... Q194T1 23531861
    61 4k1j:A (2.2) BS04 G39 3.2.1.18 GO:0004308 ... Q194T1 23531861
    62 4k1j:B (2.2) BS02 G39 3.2.1.18 GO:0004308 ... Q194T1 23531861
    63 4k1k:A (1.6) BS02 G39 3.2.1.18 GO:0004308 ... Q194T1 23531861
    64 4k1k:B (1.6) BS04 G39 3.2.1.18 GO:0004308 ... Q194T1 23531861
    65 4mwq:A (2.0) BS02 G39 3.2.1.18 GO:0004308 ... A0A024E3Q2 24165891 MOAD: ic50=0.79nM
    PDBbind: -logKd/Ki=9.10, IC50=0.79nM
    66 4mww:A (1.9) BS02 G39 3.2.1.18 GO:0004308 ... A0A067Y7N7 24165891 PDBbind: -logKd/Ki=3.67, IC50=214770nM
    67 4qn7:A (2.302) BS02 G39 3.2.1.18 GO:0004308 ... Q20R18 24899180 MOAD: ic50=0.84nM
    PDBbind: -logKd/Ki=9.08, IC50=0.84nM
    68 4qn7:B (2.302) BS02 G39 3.2.1.18 GO:0004308 ... Q20R18 24899180 MOAD: ic50=0.84nM
    69 4wa4:A (1.95) BS01 G39 3.2.1.18 GO:0004308 ... I6NW33 25540377 MOAD: ic50=0.66nM
    70 4x49:A (2.01) BS01 G39 N/A GO:0004308 ... N/A 26154892 MOAD: ic50=0.0296mM
    PDBbind: -logKd/Ki=4.53, IC50=29.6uM
    71 4yw5:A (2.3) BS01 G39 3.2.1.18 GO:0004308 ... A0A0H2UQE4 26370075
    72 4yw5:B (2.3) BS01 G39 3.2.1.18 GO:0004308 ... A0A0H2UQE4 26370075
    73 4yz3:A (2.38) BS01 G39 3.2.1.18 GO:0004308 ... A0A0H2UQE4 N/A
    74 4yz3:B (2.38) BS01 G39 3.2.1.18 GO:0004308 ... A0A0H2UQE4 N/A
    75 5l15:A (2.4) BS02 G39 3.2.1.18 GO:0004308 ... R4NFR6 28934455 PDBbind: -logKd/Ki=9.57, IC50=0.27nM
    76 5nwe:A (2.0) BS03 G39 3.2.1.18 GO:0004308 ... C3W6G3 29933553 MOAD: Kd=13200nM
    PDBbind: -logKd/Ki=4.88, Kd=13200nM
    77 5nwe:B (2.0) BS03 G39 3.2.1.18 GO:0004308 ... C3W6G3 29933553 MOAD: Kd=13200nM
    78 5nwe:C (2.0) BS03 G39 3.2.1.18 GO:0004308 ... C3W6G3 29933553 MOAD: Kd=13200nM
    79 5nwe:D (2.0) BS03 G39 3.2.1.18 GO:0004308 ... C3W6G3 29933553 MOAD: Kd=13200nM
    80 5nz4:A (1.36) BS03 G39 3.2.1.18 GO:0004308 ... C3W6G3 29933553 MOAD: Kd=520nM
    81 5nz4:B (1.36) BS03 G39 3.2.1.18 GO:0004308 ... C3W6G3 29933553 MOAD: Kd=520nM
    PDBbind: -logKd/Ki=6.28, Kd=520nM
    82 5nze:A (1.69) BS03 G39 3.2.1.18 GO:0004308 ... C3W6G3 29933553 MOAD: Kd=410nM
    83 5nze:B (1.69) BS03 G39 3.2.1.18 GO:0004308 ... C3W6G3 29933553 MOAD: Kd=410nM
    PDBbind: -logKd/Ki=6.39, Kd=410nM
    84 5nzf:A (1.75) BS03 G39 3.2.1.18 GO:0004308 ... C3W6G3 29933553 MOAD: Ki=94000nM
    PDBbind: -logKd/Ki=4.03, Ki=94000nM
    85 5nzf:B (1.75) BS03 G39 3.2.1.18 GO:0004308 ... C3W6G3 29933553 MOAD: Ki=94000nM
    86 5nzf:C (1.75) BS03 G39 3.2.1.18 GO:0004308 ... C3W6G3 29933553 MOAD: Ki=94000nM
    87 5nzf:D (1.75) BS03 G39 3.2.1.18 GO:0004308 ... C3W6G3 29933553 MOAD: Ki=94000nM
    88 5nzn:A (1.73) BS03 G39 3.2.1.18 GO:0004308 ... C3W6G3 29933553 MOAD: Ki=220000nM
    PDBbind: -logKd/Ki=3.66, Ki=220000nM
    89 5nzn:B (1.73) BS03 G39 3.2.1.18 GO:0004308 ... C3W6G3 29933553 MOAD: Ki=220000nM
    90 5nzn:C (1.73) BS03 G39 3.2.1.18 GO:0004308 ... C3W6G3 29933553 MOAD: Ki=220000nM
    91 5nzn:D (1.73) BS03 G39 3.2.1.18 GO:0004308 ... C3W6G3 29933553 MOAD: Ki=220000nM
    92 6eks:A (1.87) BS04 G39 3.2.1.18 GO:0004308 ... P0C6E9 29149072 MOAD: ic50=144uM
    PDBbind: -logKd/Ki=3.84, IC50=144uM
    93 6heb:A (1.75) BS02 G39 3.2.1.18 GO:0004308 ... P03472 N/A
    94 6hg5:A (1.6) BS05 G39 3.2.1.18 GO:0004308 ... Q6XV27 N/A
    95 6hg5:B (1.6) BS05 G39 3.2.1.18 GO:0004308 ... Q6XV27 N/A
    96 6hg5:C (1.6) BS05 G39 3.2.1.18 GO:0004308 ... Q6XV27 N/A
    97 6hg5:D (1.6) BS05 G39 3.2.1.18 GO:0004308 ... Q6XV27 N/A
    98 7cm1:A (2.14) BS02 G39 3.2.1.18 GO:0004308 ... A0A2P1GNT2 33135677
    99 7cm1:B (2.14) BS02 G39 3.2.1.18 GO:0004308 ... A0A2P1GNT2 33135677
    100 7fgd:A (2.1) BS01 G39 3.2.1.18 GO:0004308 ... A0A2P1GNT2 36191180
    101 7fgd:B (2.1) BS01 G39 3.2.1.18 GO:0004308 ... A0A2P1GNT2 36191180
    102 7qy9:A (1.92) BS01 G39 ? GO:0004308 ... G8UIQ1 35916484
    103 7qy9:B (1.92) BS01 G39 ? GO:0004308 ... G8UIQ1 35916484
    104 7xvu:A (1.6) BS01 G39 3.2.1.18 GO:0004308 ... A0A2P1GNP4 36191180
    105 7xvu:B (1.6) BS01 G39 3.2.1.18 GO:0004308 ... A0A2P1GNP4 36191180
    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)(download the PDF file).
  • 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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