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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 44 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 1b11:A (1.9) BS01 3TL 2.7.7.-
    2.7.7.49
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.-
    3.6.1.23
    GO:0004190 ... P16088 10651036 MOAD: Ki=41nM
    PDBbind: -logKd/Ki=7.39, Ki=41nM
    2 2az8:A (2.0) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P03367 16403521 MOAD: ic50=6nM
    PDBbind: -logKd/Ki=8.22, IC50=6nM
    3 2az9:A (2.5) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P03367 16403521 MOAD: ic50=22nM
    PDBbind: -logKd/Ki=7.66, IC50=22nM
    4 2azb:A (2.03) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P03367 16403521 MOAD: ic50=64nM
    PDBbind: -logKd/Ki=7.19, IC50=64nM
    5 2azc:A (2.01) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P03367 16403521 MOAD: ic50=183nM
    PDBbind: -logKd/Ki=6.74, IC50=183nM
    6 2azc:A (2.01) BS02 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P03367 16403521 MOAD: ic50=183nM
    PDBbind: -logKd/Ki=6.74, IC50=183nM
    7 2azc:B (2.01) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P03367 16403521 MOAD: ic50=183nM
    PDBbind: -logKd/Ki=6.74, IC50=183nM
    8 2azc:B (2.01) BS02 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P03367 16403521 MOAD: ic50=183nM
    PDBbind: -logKd/Ki=6.74, IC50=183nM
    9 2hah:A (1.7) BS01 3TL 3.1.13.2
    3.1.26.13
    GO:0004190 ... Q66972 17212810 MOAD: Ki=10nM
    PDBbind: -logKd/Ki=8.00, Ki=10nM
    10 2p3a:A (1.75) BS01 3TL 3.4.23.16 GO:0004190 ... Q6BB74 17467738 MOAD: Ki=11nM
    PDBbind: -logKd/Ki=7.96, Ki=11nM
    11 2p3a:B (1.75) BS01 3TL 3.4.23.16 GO:0004190 ... Q6BB74 17467738 PDBbind: -logKd/Ki=7.96, Ki=11nM
    12 2p3b:A (2.1) BS01 3TL 3.4.23.16 GO:0004190 ... Q9Q2G8 17467738 MOAD: Ki=3.3nM
    PDBbind: -logKd/Ki=8.48, Ki=3.3nM
    13 2p3b:B (2.1) BS01 3TL 3.4.23.16 GO:0004190 ... Q9Q288 17467738 PDBbind: -logKd/Ki=8.48, Ki=3.3nM
    14 2p3c:A (2.1) BS01 3TL 3.4.23.16 GO:0004190 ... Q6Q004 17467738 MOAD: Ki=24nM
    PDBbind: -logKd/Ki=7.62, Ki=24nM
    15 2p3c:B (2.1) BS01 3TL 3.4.23.16 GO:0004190 ... Q6Q004 17467738 PDBbind: -logKd/Ki=7.62, Ki=24nM
    16 2p3d:A (2.8) BS01 3TL 3.4.23.16 GO:0004190 ... Q7SRY5 17467738 PDBbind: -logKd/Ki=6.74, Ki=180nM
    17 2p3d:B (2.8) BS01 3TL 3.4.23.16 GO:0004190 ... Q7SRY5 17467738 PDBbind: -logKd/Ki=6.74, Ki=180nM
    18 3kf0:A (1.8) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P12499 20659109
    19 3kf0:B (1.8) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P12499 20659109
    20 3kfn:A (1.77) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P12499 20659109 PDBbind: -logKd/Ki=4.74, IC50=18uM
    21 3kfn:B (1.77) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P12499 20659109 PDBbind: -logKd/Ki=4.74, IC50=18uM
    22 3kfp:A (1.77) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P12499 20659109
    23 3kfr:A (1.3) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P12499 20659109
    24 3kfr:B (1.3) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P12499 20659109
    25 3kfs:A (1.8) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P12499 20659109
    26 3kfs:B (1.8) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P12499 20659109
    27 3slz:A (1.4) BS01 3TL ? GO:0004190 ... Q9E7M1 21951660 MOAD: Ki=102nM
    PDBbind: -logKd/Ki=6.99, Ki=102nM
    28 3slz:B (1.4) BS01 3TL ? GO:0004190 ... Q9E7M1 21951660 PDBbind: -logKd/Ki=6.99, Ki=102nM
    29 3tlh:A (2.0) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P03366 10651036 MOAD: Ki=1.5nM
    PDBbind: -logKd/Ki=8.82, Ki=1.5nM
    30 4k4p:A (2.31) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P12499 23998903
    31 4k4p:B (2.31) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P12499 23998903
    32 4k4q:A (1.8) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P12499 23998903
    33 4k4q:B (1.8) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P12499 23998903
    34 4k4r:A (1.8) BS02 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P12499 23998903
    35 4k4r:B (1.8) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P12499 23998903
    36 4tvh:A (2.195) BS01 3TL ? GO:0004190 ... Q90EA1 25189630
    37 4tvh:B (2.195) BS01 3TL ? GO:0004190 ... Q90EA1 25189630
    38 5fiv:A (1.9) BS01 3TL 2.7.7.-
    2.7.7.49
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.-
    3.6.1.23
    GO:0004190 ... P16088 10651036 MOAD: Ki=22nM
    PDBbind: -logKd/Ki=7.66, Ki=22nM
    39 5vck:A (1.8) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P12497 N/A
    40 5vck:B (1.8) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P12497 N/A
    41 5vea:A (2.0) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P12497 N/A
    42 5w5w:A (3.0) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P03366 N/A
    43 5w5w:B (3.0) BS01 3TL 2.7.7.-
    2.7.7.49
    2.7.7.7
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.16
    GO:0004190 ... P03366 N/A
    44 6fiv:A (1.9) BS01 3TL 2.7.7.-
    2.7.7.49
    3.1.-.-
    3.1.13.2
    3.1.26.13
    3.4.23.-
    3.6.1.23
    GO:0004190 ... P16088 10651036 MOAD: Ki=8.3nM
    PDBbind: -logKd/Ki=8.08, Ki=8.3nM

    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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