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●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 65 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 1c6z:A (2.5) BS01 ROC 3.4.24.- GO:0004190 ... O09893 10739910
    2 1c6z:B (2.5) BS01 ROC 3.4.24.- GO:0004190 ... O09893 10739910
    3 1fb7:A (2.6) BS01 ROC 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 ... P04585 11106162
    4 1hxb:A (2.3) BS01 ROC 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 ... P04585 1956054 MOAD: Ki=0.12nM
    PDBbind: -logKd/Ki=9.92, Ki=0.12nM
    5 1hxb:B (2.3) BS01 ROC 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 ... P04585 1956054 PDBbind: -logKd/Ki=9.92, Ki=0.12nM
    6 2nmy:A (1.1) BS01 ROC 3.4.23.16 GO:0004190 ... Q7SSI0 17243183 PDBbind: -logKd/Ki=8.37, Ki=4.3nM
    7 2nmy:B (1.1) BS01 ROC 3.4.23.16 GO:0004190 ... Q7SSI0 17243183 PDBbind: -logKd/Ki=8.37, Ki=4.3nM
    8 2nmz:A (0.97) BS01 ROC 3.4.23.16 GO:0004190 ... Q7SSI0 17243183 PDBbind: -logKd/Ki=8.37, Ki=4.3nM
    9 2nmz:B (0.97) BS01 ROC 3.4.23.16 GO:0004190 ... Q7SSI0 17243183 PDBbind: -logKd/Ki=8.37, Ki=4.3nM
    10 2nnk:A (1.25) BS01 ROC 3.4.23.16 GO:0004190 ... Q7SSI0 17243183 PDBbind: -logKd/Ki=8.37, Ki=4.3nM
    11 2nnk:B (1.25) BS01 ROC 3.4.23.16 GO:0004190 ... Q7SSI0 17243183 PDBbind: -logKd/Ki=8.37, Ki=4.3nM
    12 2nnp:A (1.2) BS01 ROC 3.4.23.16 GO:0004190 ... Q7SSI0 17243183 PDBbind: -logKd/Ki=8.37, Ki=4.3nM
    13 2nnp:B (1.2) BS01 ROC 3.4.23.16 GO:0004190 ... Q7SSI0 17243183 PDBbind: -logKd/Ki=8.37, Ki=4.3nM
    14 3cyx:A (1.2) BS01 ROC 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 ... P04587 18597780 MOAD: Ki=10nM
    PDBbind: -logKd/Ki=8.00, Ki=10nM
    15 3cyx:B (1.2) BS01 ROC 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 ... P04587 18597780 PDBbind: -logKd/Ki=8.00, Ki=10nM
    16 3d1x:A (1.05) BS01 ROC 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 ... P04587 18597780 MOAD: Ki=2.2nM
    PDBbind: -logKd/Ki=8.66, Ki=2.2nM
    17 3d1x:B (1.05) BS01 ROC 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 ... P04587 18597780 PDBbind: -logKd/Ki=8.66, Ki=2.2nM
    18 3d1y:A (1.05) BS01 ROC 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 ... P04587 18597780 MOAD: Ki=6nM
    PDBbind: -logKd/Ki=8.22, Ki=6nM
    19 3d1y:B (1.05) BS01 ROC 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 ... P04587 18597780 PDBbind: -logKd/Ki=8.22, Ki=6nM
    20 3ekq:A (2.2) BS01 ROC 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 ... P03369 22712830 MOAD: Kd=176nM
    PDBbind: -logKd/Ki=6.75, Kd=176.0nM
    21 3ekq:B (2.2) BS01 ROC 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 ... P03369 22712830 PDBbind: -logKd/Ki=6.75, Kd=176.0nM
    22 3el4:A (2.0) BS01 ROC 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 ... P03369 22712830 MOAD: Kd=67.4nM
    PDBbind: -logKd/Ki=7.17, Kd=67.4nM
    23 3el4:B (2.0) BS01 ROC 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 ... P03369 22712830 PDBbind: -logKd/Ki=7.17, Kd=67.4nM
    24 3k4v:A (1.39) BS01 ROC 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 24900204
    25 3k4v:B (1.39) BS01 ROC 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 24900204
    26 3k4v:C (1.39) BS01 ROC 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 24900204
    27 3k4v:D (1.39) BS01 ROC 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 24900204
    28 3n3i:A (2.501) BS01 ROC 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 ... P04585 20471372
    29 3ndt:A (1.72) BS01 ROC 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
    30 3ndt:B (1.72) BS01 ROC 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
    31 3ndt:C (1.72) BS01 ROC 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
    32 3ndt:D (1.72) BS01 ROC 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
    33 3ndu:A (1.25) BS01 ROC 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 N/A
    34 3ndu:B (1.25) BS01 ROC 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 N/A
    35 3ndu:C (1.25) BS01 ROC 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 N/A
    36 3ndu:D (1.25) BS01 ROC 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 N/A
    37 3oxc:A (1.16) BS01 ROC 3.4.23.16 GO:0004190 ... Q7SSI0 17243183 MOAD: Ki=3.9nM
    PDBbind: -logKd/Ki=8.41, Ki=3.9nM
    38 3oxc:B (1.16) BS01 ROC 3.4.23.16 GO:0004190 ... Q7SSI0 17243183 PDBbind: -logKd/Ki=8.41, Ki=3.9nM
    39 3pwr:A (1.45) BS01 ROC 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 21446746
    40 3pwr:B (1.45) BS01 ROC 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 21446746
    41 3pww:A (1.22) BS01 ROC 3.4.23.22 GO:0004190 ... P11838 22213702 PDBbind: -logKd/Ki=7.32, Ki=48nM
    42 3s56:A (1.88) BS01 ROC 3.4.23.16 GO:0004190 ... Q7SSI0 22238126 MOAD: Ki=0.24nM
    PDBbind: -logKd/Ki=9.62, Ki=0.24nM
    43 3s56:B (1.88) BS01 ROC 3.4.23.16 GO:0004190 ... Q7SSI0 22238126 MOAD: Ki=0.24nM
    PDBbind: -logKd/Ki=9.62, Ki=0.24nM
    44 3s56:B (1.88) BS02 ROC 3.4.23.16 GO:0004190 ... Q7SSI0 22238126 MOAD: Ki=0.24nM
    PDBbind: -logKd/Ki=9.62, Ki=0.24nM
    45 3tkg:A (1.36) BS01 ROC 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 22242794
    46 3tkg:B (1.36) BS01 ROC 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 22242794
    47 3tkg:C (1.36) BS01 ROC 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 22242794
    48 3tkg:D (1.36) BS01 ROC 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 22242794
    49 3tl9:A (1.32) BS01 ROC 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 22242794
    50 3tl9:B (1.32) BS01 ROC 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 22242794
    51 3ufn:A (1.45) BS01 ROC 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 22404139 MOAD: Kd=930nM
    52 3ufn:A (1.45) BS02 ROC 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 22404139 MOAD: Kd=930nM
    53 3ufn:B (1.45) BS01 ROC 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 22404139
    54 3ufn:B (1.45) BS02 ROC 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 22404139
    55 4q5m:A (1.795) BS01 ROC 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 ... P04585 25487655
    56 4qgi:A (1.896) BS01 ROC 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 ... P0C6F2 25513833 PDBbind: -logKd/Ki=3.90, Ki=125uM
    57 4qgi:B (1.896) BS01 ROC 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 ... P0C6F2 25513833 PDBbind: -logKd/Ki=3.90, Ki=125uM
    58 5kqx:A (2.4) BS01 ROC ? GO:0004190 ... C8BD48 27576689 MOAD: Ki=3.6nM
    PDBbind: -logKd/Ki=8.44, Ki=3.6nM
    59 5kqx:B (2.4) BS01 ROC ? GO:0004190 ... C8BD48 27576689 PDBbind: -logKd/Ki=8.44, Ki=3.6nM
    60 5kr2:A (1.78) BS01 ROC ? GO:0004190 ... V5YAB1 27576689 MOAD: Ki=3.3nM
    PDBbind: -logKd/Ki=8.48, Ki=3.3nM
    61 5kr2:B (1.78) BS01 ROC ? GO:0004190 ... V5YAB1 27576689 PDBbind: -logKd/Ki=8.48, Ki=3.3nM
    62 5kr2:C (1.78) BS01 ROC ? GO:0004190 ... V5YAB1 27576689 MOAD: Ki=3.3nM
    63 5kr2:D (1.78) BS01 ROC ? GO:0004190 ... V5YAB1 27576689
    64 6xcz:A (1.89) BS01 ROC 3.4.23.1 GO:0004190 ... P00791 N/A
    65 7dt9:A (1.89) BS01 ROC 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 ... P04585 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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