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BioLiP
Download all results in tab-seperated text for 817662 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.
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  • 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.
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    # PDB
    (Resolution Å)
    Site # Ligand EC number GO terms UniProt PubMed Binding
    affinity
    7601 1dm6:B (1.95) BS01 ZN 1.14.13.39 GO:0004517 ... P29473 11695891
    7602 1dm6:B (1.95) BS02 PH3 1.14.13.39 GO:0004517 ... P29473 11695891
    7603 1dm6:B (1.95) BS03 PH3 1.14.13.39 GO:0004517 ... P29473 11695891
    7604 1dm6:B (1.95) BS04 HEM 1.14.13.39 GO:0004517 ... P29473 11695891
    7605 1dm6:B (1.95) BS05 PH3 1.14.13.39 GO:0004517 ... P29473 11695891
    7606 1dm7:A (2.1) BS01 HEM 1.14.13.39 GO:0004517 ... P29473 N/A
    7607 1dm7:A (2.1) BS02 HRG 1.14.13.39 GO:0004517 ... P29473 N/A
    7608 1dm7:A (2.1) BS03 ZN 1.14.13.39 GO:0004517 ... P29473 N/A
    7609 1dm7:B (2.1) BS01 ZN 1.14.13.39 GO:0004517 ... P29473 N/A
    7610 1dm7:B (2.1) BS02 HEM 1.14.13.39 GO:0004517 ... P29473 N/A
    7611 1dm7:B (2.1) BS03 HRG 1.14.13.39 GO:0004517 ... P29473 N/A
    7612 1dm8:A (2.25) BS01 ZN 1.14.13.39 GO:0004517 ... P29473 N/A
    7613 1dm8:A (2.25) BS02 HEM 1.14.13.39 GO:0004517 ... P29473 N/A
    7614 1dm8:A (2.25) BS03 H4B 1.14.13.39 GO:0004517 ... P29473 N/A
    7615 1dm8:A (2.25) BS04 TZC 1.14.13.39 GO:0004517 ... P29473 N/A
    7616 1dm8:A (2.25) BS05 H4B 1.14.13.39 GO:0004517 ... P29473 N/A
    7617 1dm8:B (2.25) BS01 ZN 1.14.13.39 GO:0004517 ... P29473 N/A
    7618 1dm8:B (2.25) BS02 H4B 1.14.13.39 GO:0004517 ... P29473 N/A
    7619 1dm8:B (2.25) BS03 HEM 1.14.13.39 GO:0004517 ... P29473 N/A
    7620 1dm8:B (2.25) BS04 H4B 1.14.13.39 GO:0004517 ... P29473 N/A
    7621 1dm8:B (2.25) BS05 TZC 1.14.13.39 GO:0004517 ... P29473 N/A
    7622 1dma:A (2.5) BS01 NCA 2.4.2.36 GO:0047286 ... P11439 7568123
    7623 1dma:B (2.5) BS01 NCA 2.4.2.36 GO:0047286 ... P11439 7568123
    7624 1dma:B (2.5) BS02 AMP 2.4.2.36 GO:0047286 ... P11439 7568123
    7625 1dmb:A (1.8) BS01 GLC ? GO:0005515 ... P0AEX9 8399200
    7626 1dmb:A (1.8) BS02 GLC ? GO:0005515 ... P0AEX9 8399200
    7627 1dmc:A (-1.00) BS01 CD ? GO:0046872 ... P55949 7819257
    7628 1dmc:A (-1.00) BS02 CD ? GO:0046872 ... P55949 7819257
    7629 1dmc:A (-1.00) BS03 CD ? GO:0046872 ... P55949 7819257
    7630 1dmd:A (-1.00) BS01 CD ? GO:0046872 ... P55949 7819257
    7631 1dmd:A (-1.00) BS02 CD ? GO:0046872 ... P55949 7819257
    7632 1dmd:A (-1.00) BS03 CD ? GO:0046872 ... P55949 7819257
    7633 1dmh:A (1.7) BS01 FE 1.13.11.1 GO:0003824 ... P07773 10801478
    7634 1dmh:A (1.7) BS02 MCT 1.13.11.1 GO:0003824 ... P07773 10801478
    7635 1dmh:B (1.7) BS01 FE 1.13.11.1 GO:0003824 ... P07773 10801478
    7636 1dmh:B (1.7) BS02 MCT 1.13.11.1 GO:0003824 ... P07773 10801478
    7637 1dmi:A (2.0) BS01 ZN 1.14.13.39 GO:0004517 ... P29473 N/A
    7638 1dmi:A (2.0) BS02 HEM 1.14.13.39 GO:0004517 ... P29473 N/A
    7639 1dmi:A (2.0) BS03 BHS 1.14.13.39 GO:0004517 ... P29473 N/A
    7640 1dmi:A (2.0) BS04 BHS 1.14.13.39 GO:0004517 ... P29473 N/A
    7641 1dmi:B (2.0) BS01 ZN 1.14.13.39 GO:0004517 ... P29473 N/A
    7642 1dmi:B (2.0) BS02 BHS 1.14.13.39 GO:0004517 ... P29473 N/A
    7643 1dmi:B (2.0) BS03 HEM 1.14.13.39 GO:0004517 ... P29473 N/A
    7644 1dmi:B (2.0) BS04 BHS 1.14.13.39 GO:0004517 ... P29473 N/A
    7645 1dmi:B (2.0) BS05 ITU 1.14.13.39 GO:0004517 ... P29473 N/A
    7646 1dmj:A (2.35) BS01 ZN 1.14.13.39 GO:0004517 ... P29473 11590164
    7647 1dmj:A (2.35) BS02 HEM 1.14.13.39 GO:0004517 ... P29473 11590164
    7648 1dmj:A (2.35) BS03 AP4 1.14.13.39 GO:0004517 ... P29473 11590164
    7649 1dmj:A (2.35) BS04 ITU 1.14.13.39 GO:0004517 ... P29473 11590164
    7650 1dmj:A (2.35) BS05 AP4 1.14.13.39 GO:0004517 ... P29473 11590164
    7651 1dmj:B (2.35) BS01 ZN 1.14.13.39 GO:0004517 ... P29473 11590164
    7652 1dmj:B (2.35) BS02 HEM 1.14.13.39 GO:0004517 ... P29473 11590164
    7653 1dmj:B (2.35) BS03 AP4 1.14.13.39 GO:0004517 ... P29473 11590164
    7654 1dmj:B (2.35) BS04 ITU 1.14.13.39 GO:0004517 ... P29473 11590164
    7655 1dmk:A (1.9) BS01 ZN 1.14.13.39 GO:0004517 ... P29473 11590164
    7656 1dmk:A (1.9) BS02 HEM 1.14.13.39 GO:0004517 ... P29473 11590164
    7657 1dmk:A (1.9) BS03 AP6 1.14.13.39 GO:0004517 ... P29473 11590164
    7658 1dmk:A (1.9) BS04 ITU 1.14.13.39 GO:0004517 ... P29473 11590164
    7659 1dmk:A (1.9) BS05 AP6 1.14.13.39 GO:0004517 ... P29473 11590164
    7660 1dmk:B (1.9) BS01 ZN 1.14.13.39 GO:0004517 ... P29473 11590164
    7661 1dmk:B (1.9) BS02 AP6 1.14.13.39 GO:0004517 ... P29473 11590164
    7662 1dmk:B (1.9) BS03 HEM 1.14.13.39 GO:0004517 ... P29473 11590164
    7663 1dmk:B (1.9) BS04 AP6 1.14.13.39 GO:0004517 ... P29473 11590164
    7664 1dmk:B (1.9) BS05 ITU 1.14.13.39 GO:0004517 ... P29473 11590164
    7665 1dmp:A (2.0) BS01 DMQ 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 8807858 PDBbind: -logKd/Ki=9.55, Ki=0.28nM
    7666 1dmp:B (2.0) BS01 DMQ 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 8807858 MOAD: Ki=0.28nM
    PDBbind: -logKd/Ki=9.55, Ki=0.28nM
    7667 1dmr:A (1.82) BS01 PGD 1.7.2.3
    1.8.5.3
    GO:0016491 ... Q52675 N/A
    7668 1dmr:A (1.82) BS02 PGD 1.7.2.3
    1.8.5.3
    GO:0016491 ... Q52675 N/A
    7669 1dms:A (1.88) BS01 PGD 1.7.2.3
    1.8.5.3
    GO:0009033 ... Q52675 8890912
    7670 1dms:A (1.88) BS02 PGD 1.7.2.3
    1.8.5.3
    GO:0009033 ... Q52675 8890912
    7671 1dms:A (1.88) BS03 2MO 1.7.2.3
    1.8.5.3
    GO:0009033 ... Q52675 8890912
    7672 1dmt:A (2.1) BS01 ZN 3.4.24.11 GO:0001786 ... P08473 10669592
    7673 1dmt:A (2.1) BS02 RDF 3.4.24.11 GO:0001786 ... P08473 10669592 PDBbind: -logKd/Ki=8.70, IC50=2nM
    BindingDB: IC50=30nM
    7674 1dmu:A (2.2) BS01 dna 3.1.21.4 GO:0004519 ... O68557 9736624
    7675 1dmu:A (2.2) BS02 CA 3.1.21.4 GO:0004519 ... O68557 9736624
    7676 1dmu:A (2.2) BS03 CA 3.1.21.4 GO:0004519 ... O68557 9736624
    7677 1dmw:A (2.0) BS01 FE 1.14.16.1 GO:0004497 ... P00439 10694386
    7678 1dmw:A (2.0) BS02 HBI 1.14.16.1 GO:0004497 ... P00439 10694386
    7679 1dmx:A (2.45) BS01 ZN 4.2.1.1 GO:0004089 ... P23589 7479916
    7680 1dmx:B (2.45) BS01 ZN 4.2.1.1 GO:0004089 ... P23589 7479916
    7681 1dmy:A (2.45) BS01 ZN 4.2.1.1 GO:0004089 ... P23589 7479916
    7682 1dmy:A (2.45) BS02 AZM 4.2.1.1 GO:0004089 ... P23589 7479916 BindingDB: Ki=60nM
    7683 1dmy:B (2.45) BS01 ZN 4.2.1.1 GO:0004089 ... P23589 7479916
    7684 1dmy:B (2.45) BS02 AZM 4.2.1.1 GO:0004089 ... P23589 7479916 BindingDB: Ki=60nM
    7685 1dna:A (2.2) BS01 UMP 2.1.1.45 GO:0000287 ... P0A884 9753479
    7686 1dna:A (2.2) BS02 UMP 2.1.1.45 GO:0000287 ... P0A884 9753479
    7687 1dna:B (2.2) BS01 UMP 2.1.1.45 GO:0000287 ... P0A884 9753479
    7688 1dna:B (2.2) BS02 UMP 2.1.1.45 GO:0000287 ... P0A884 9753479
    7689 1dnc:A (1.7) BS01 FAD 1.8.1.7 GO:0004362 ... P00390 9546215
    7690 1dnc:A (1.7) BS02 GSH 1.8.1.7 GO:0004362 ... P00390 9546215
    7691 1dnk:A (2.3) BS01 dna 3.1.21.1 GO:0002283 ... P00639 1518054
    7692 1dnk:A (2.3) BS02 dna 3.1.21.1 GO:0002283 ... P00639 1518054
    7693 1dnl:A (1.8) BS01 PO4 1.4.3.5 GO:0004733 ... P0AFI7 10903950
    7694 1dnl:A (1.8) BS02 FMN 1.4.3.5 GO:0004733 ... P0AFI7 10903950
    7695 1dnp:A (2.3) BS01 FAD 4.1.99.3 GO:0000166 ... P00914 7604260
    7696 1dnp:A (2.3) BS02 MHF 4.1.99.3 GO:0000166 ... P00914 7604260
    7697 1dnp:B (2.3) BS01 FAD 4.1.99.3 GO:0000166 ... P00914 7604260
    7698 1dnp:B (2.3) BS02 MHF 4.1.99.3 GO:0000166 ... P00914 7604260
    7699 1dnu:A (1.85) BS01 HEM 1.11.2.2 GO:0004601 ... P05164 11705390
    7700 1dnu:B (1.85) BS01 HEM 1.11.2.2 GO:0004601 ... P05164 11705390
    7701 1dnu:C (1.85) BS01 MAN 1.11.2.2 GO:0004601 ... P05164 11705390
    7702 1dnu:C (1.85) BS02 SCN 1.11.2.2 GO:0004601 ... P05164 11705390
    7703 1dnu:C (1.85) BS03 SCN 1.11.2.2 GO:0004601 ... P05164 11705390
    7704 1dnu:C (1.85) BS04 CA 1.11.2.2 GO:0004601 ... P05164 11705390
    7705 1dnu:C (1.85) BS05 HEM 1.11.2.2 GO:0004601 ... P05164 11705390
    7706 1dnu:D (1.85) BS01 MAN 1.11.2.2 GO:0004601 ... P05164 11705390
    7707 1dnu:D (1.85) BS02 SCN 1.11.2.2 GO:0004601 ... P05164 11705390
    7708 1dnu:D (1.85) BS03 SCN 1.11.2.2 GO:0004601 ... P05164 11705390
    7709 1dnu:D (1.85) BS04 HEM 1.11.2.2 GO:0004601 ... P05164 11705390
    7710 1dnu:D (1.85) BS05 CA 1.11.2.2 GO:0004601 ... P05164 11705390
    7711 1dnw:A (1.9) BS01 CYN 1.11.2.2 GO:0004601 ... P05164 11705390
    7712 1dnw:A (1.9) BS02 HEM 1.11.2.2 GO:0004601 ... P05164 11705390
    7713 1dnw:B (1.9) BS01 HEM 1.11.2.2 GO:0004601 ... P05164 11705390
    7714 1dnw:C (1.9) BS01 FUC 1.11.2.2 GO:0004601 ... P05164 11705390
    7715 1dnw:C (1.9) BS02 MAN 1.11.2.2 GO:0004601 ... P05164 11705390
    7716 1dnw:C (1.9) BS03 SCN 1.11.2.2 GO:0004601 ... P05164 11705390
    7717 1dnw:C (1.9) BS04 CA 1.11.2.2 GO:0004601 ... P05164 11705390
    7718 1dnw:C (1.9) BS05 SCN 1.11.2.2 GO:0004601 ... P05164 11705390
    7719 1dnw:C (1.9) BS06 HEM 1.11.2.2 GO:0004601 ... P05164 11705390
    7720 1dnw:D (1.9) BS01 MAN 1.11.2.2 GO:0004601 ... P05164 11705390
    7721 1dnw:D (1.9) BS02 SCN 1.11.2.2 GO:0004601 ... P05164 11705390
    7722 1dnw:D (1.9) BS03 SCN 1.11.2.2 GO:0004601 ... P05164 11705390
    7723 1dnw:D (1.9) BS04 HEM 1.11.2.2 GO:0004601 ... P05164 11705390
    7724 1dnw:D (1.9) BS05 CA 1.11.2.2 GO:0004601 ... P05164 11705390
    7725 1do0:A (3.0) BS01 ATP ? GO:0000287 ... P0A6H5 10693812
    7726 1do0:B (3.0) BS01 ATP ? GO:0000287 ... P0A6H5 10693812
    7727 1do0:D (3.0) BS01 ATP ? GO:0000287 ... P0A6H5 10693812
    7728 1do0:E (3.0) BS01 ATP ? GO:0000287 ... P0A6H5 10693812
    7729 1do1:A (1.5) BS01 GLC 1.11.1.-
    1.7.-.-
    GO:0004601 ... P02185 10724176
    7730 1do1:A (1.5) BS02 HEM 1.11.1.-
    1.7.-.-
    GO:0004601 ... P02185 10724176
    7731 1do2:A (4.0) BS01 ANP ? GO:0000287 ... P0A6H5 10693812
    7732 1do2:C (4.0) BS01 ANP ? GO:0000287 ... P0A6H5 10693812
    7733 1do3:A (1.55) BS01 GLC 1.11.1.-
    1.7.-.-
    GO:0004601 ... P02185 10724176
    7734 1do3:A (1.55) BS02 HEM 1.11.1.-
    1.7.-.-
    GO:0004601 ... P02185 10724176
    7735 1do4:A (1.7) BS01 GLC 1.11.1.-
    1.7.-.-
    GO:0004601 ... P02185 10724176
    7736 1do4:A (1.7) BS02 HEM 1.11.1.-
    1.7.-.-
    GO:0004601 ... P02185 10724176
    7737 1do5:A (2.75) BS01 ZN ? GO:0005507 ... O14618 10677207
    7738 1do5:B (2.75) BS01 ZN ? GO:0005507 ... O14618 10677207
    7739 1do5:C (2.75) BS01 ZN ? GO:0005507 ... O14618 10677207
    7740 1do5:D (2.75) BS01 ZN ? GO:0005507 ... O14618 10677207
    7741 1do6:A (2.0) BS01 FE 1.15.1.2 GO:0005506 ... P82385 10704199
    7742 1do6:B (2.0) BS01 FE 1.15.1.2 GO:0005506 ... P82385 10704199
    7743 1do7:A (1.85) BS01 GLC 1.11.1.-
    1.7.-.-
    GO:0004601 ... P02185 10724176
    7744 1do7:A (1.85) BS02 HEM 1.11.1.-
    1.7.-.-
    GO:0004601 ... P02185 10724176
    7745 1do8:A (2.2) BS01 OXL 1.1.1.38 GO:0004470 ... P23368 10700286
    7746 1do8:A (2.2) BS02 MN 1.1.1.38 GO:0004470 ... P23368 10700286
    7747 1do8:A (2.2) BS03 NAD 1.1.1.38 GO:0004470 ... P23368 10700286
    7748 1do8:A (2.2) BS04 NAD 1.1.1.38 GO:0004470 ... P23368 10700286
    7749 1do8:B (2.2) BS01 OXL 1.1.1.38 GO:0004470 ... P23368 10700286
    7750 1do8:B (2.2) BS02 MN 1.1.1.38 GO:0004470 ... P23368 10700286
    7751 1do8:B (2.2) BS03 NAD 1.1.1.38 GO:0004470 ... P23368 10700286
    7752 1do8:B (2.2) BS04 NAD 1.1.1.38 GO:0004470 ... P23368 10700286
    7753 1do8:C (2.2) BS01 OXL 1.1.1.38 GO:0004470 ... P23368 10700286
    7754 1do8:C (2.2) BS02 MN 1.1.1.38 GO:0004470 ... P23368 10700286
    7755 1do8:C (2.2) BS03 NAD 1.1.1.38 GO:0004470 ... P23368 10700286
    7756 1do8:C (2.2) BS04 NAD 1.1.1.38 GO:0004470 ... P23368 10700286
    7757 1do8:D (2.2) BS01 NAD 1.1.1.38 GO:0004470 ... P23368 10700286
    7758 1do8:D (2.2) BS02 OXL 1.1.1.38 GO:0004470 ... P23368 10700286
    7759 1do8:D (2.2) BS03 MN 1.1.1.38 GO:0004470 ... P23368 10700286
    7760 1do8:D (2.2) BS04 NAD 1.1.1.38 GO:0004470 ... P23368 10700286
    7761 1do8:D (2.2) BS05 NAD 1.1.1.38 GO:0004470 ... P23368 10700286
    7762 1do9:A (-1.00) BS01 HEM ? GO:0020037 ... P00169 10651812
    7763 1doa:A (2.6) BS01 MG 3.6.5.2 GO:0000139 ... P60953 10676816
    7764 1doa:A (2.6) BS02 GDP 3.6.5.2 GO:0000139 ... P60953 10676816
    7765 1doa:A (2.6) BS03 GER 3.6.5.2 GO:0000139 ... P60953 10676816
    7766 1doa:B (2.6) BS01 GER ? GO:0001772 ... P19803 10676816
    7767 1dob:A (2.0) BS01 FAD 1.14.13.2 GO:0004497 ... P20586 7939628
    7768 1doc:A (2.0) BS01 FAD 1.14.13.2 GO:0004497 ... P20586 7939628
    7769 1dod:A (2.1) BS01 FAD 1.14.13.2 GO:0004497 ... P20586 7939628
    7770 1dod:A (2.1) BS02 DOB 1.14.13.2 GO:0004497 ... P20586 7939628
    7771 1doe:A (2.3) BS01 FAD 1.14.13.2 GO:0004497 ... P20586 7939628
    7772 1doe:A (2.3) BS02 DOB 1.14.13.2 GO:0004497 ... P20586 7939628
    7773 1dog:A (2.3) BS01 MAN 3.2.1.3 GO:0004339 ... P69327 8431441
    7774 1dog:A (2.3) BS02 MAN 3.2.1.3 GO:0004339 ... P69327 8431441
    7775 1dog:A (2.3) BS03 MAN 3.2.1.3 GO:0004339 ... P69327 8431441
    7776 1dog:A (2.3) BS04 MAN 3.2.1.3 GO:0004339 ... P69327 8431441
    7777 1dog:A (2.3) BS05 MAN 3.2.1.3 GO:0004339 ... P69327 8431441
    7778 1dog:A (2.3) BS06 MAN 3.2.1.3 GO:0004339 ... P69327 8431441
    7779 1dog:A (2.3) BS07 MAN 3.2.1.3 GO:0004339 ... P69327 8431441
    7780 1dog:A (2.3) BS08 MAN 3.2.1.3 GO:0004339 ... P69327 8431441
    7781 1dog:A (2.3) BS09 MAN 3.2.1.3 GO:0004339 ... P69327 8431441
    7782 1dog:A (2.3) BS10 MAN 3.2.1.3 GO:0004339 ... P69327 8431441
    7783 1dog:A (2.3) BS11 NOJ 3.2.1.3 GO:0004339 ... P69327 8431441 MOAD: Ki=96uM
    7784 1dog:A (2.3) BS12 NOJ 3.2.1.3 GO:0004339 ... P69327 8431441 MOAD: Ki=96uM
    7785 1doh:A (2.1) BS01 NDP 1.1.1.252 GO:0005575 ... Q12634 11342131
    7786 1doh:A (2.1) BS02 NID 1.1.1.252 GO:0005575 ... Q12634 11342131 MOAD: Ki=2.4nM
    7787 1doh:B (2.1) BS01 NDP 1.1.1.252 GO:0005575 ... Q12634 11342131
    7788 1doh:B (2.1) BS02 NID 1.1.1.252 GO:0005575 ... Q12634 11342131 MOAD: Ki=2.4nM
    7789 1doi:A (1.9) BS01 FES ? GO:0046872 ... P00217 8612076
    7790 1doj:A (1.7) BS01 peptide 3.4.21.5 GO:0004252 ... P00734 11053836
    7791 1doj:A (1.7) BS02 1Z0 3.4.21.5 GO:0004252 ... P00734 11053836 PDBbind: -logKd/Ki=8.96, Ki=1.1nM
    7792 1dor:A (2.0) BS01 FMN 1.3.98.1 GO:0004152 ... A2RJT9 9032071
    7793 1dor:B (2.0) BS01 FMN 1.3.98.1 GO:0004152 ... A2RJT9 9032071
    7794 1dos:A (1.67) BS01 ZN 4.1.2.13 GO:0004332 ... P0AB71 8836102
    7795 1dos:B (1.67) BS01 ZN 4.1.2.13 GO:0004332 ... P0AB71 8836102
    7796 1dot:A (2.35) BS01 FE ? GO:0005576 ... P56410 15299626
    7797 1dot:A (2.35) BS02 FE ? GO:0005576 ... P56410 15299626
    7798 1dot:A (2.35) BS03 CO3 ? GO:0005576 ... P56410 15299626
    7799 1dot:A (2.35) BS04 CO3 ? GO:0005576 ... P56410 15299626
    7800 1dox:A (-1.00) BS01 FES ? GO:0005515 ... P27320 7578051

    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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