Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T66935 | Target Info | |||
| Target Name | Poly [ADP-ribose] glycohydrolase (PARG) | ||||
| Synonyms | Poly(ADP-ribose) glycohydrolase | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | PARG | ||||
| Biochemical Class | Glycosylase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: S,S-(2-Hydroxyethyl)Thiocysteine | Ligand Info | |||||
| Structure Description | Structure of human PARG complexed with PARG-061 | PDB:7KG8 | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | Yes | [1] |
| PDB Sequence |
KKWLGTPIEE
460 MRRMPRCGIR470 LPLLRPSANH480 TVTIRVDLLR490 AGEVPKPFPT500 HYKDLWDNKH 510 VKMPCSEQNL520 YAGSRWELIQ540 TALLNKFTRP550 QNLKDAILKY560 NVAYSKKWDF 570 TALIDFWDKV580 LEEAEAQHLY590 QSILPDMVKI600 ALLPNICTQP611 IPLLAAAMNH 621 SITMSQEQIA631 SLLANAFFCT641 FPRRNAKMKS651 EYSSYPDINF661 NRLFEGRSSR 671 KPEKLKTLFC681 YFRRVTAAAP691 TGLVTFTRQS701 LEDFPEWERE712 KPLTRLHVTY 722 EGTIEENGQG732 MLQVDFANRF742 VGGGVTSAGL752 VQEEIRFLIN762 PELIISRLFT 772 EVLDHNECLI782 ITGTEQYSEY792 TGYAETYRWS802 RSHEDGSERD812 DWQRRCTEIV 822 AIDALHFRRY832 LDQFVPEKMR842 RELNKAYCGF852 LRPGVSSENL862 SAVATGNWGC 872 GAFGGDARLK882 ALIQILAAAA892 AERDVVYFTF902 GDSELMRDIY912 SMHIFLTERK 922 LTVGDVYKLL932 LRYYNEECRN942 CTPGPDIKLY953 PFIYHAVES
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TRP536
4.417
VAL598
4.910
LYS599
3.098
ILE600
3.335
ALA601
3.161
LEU602
1.331
LEU604
1.328
PRO605
2.694
ASN606
2.172
ILE607
2.594
CYS608
4.391
SER632
4.164
PRO706
2.165
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Cysteine Sulfenic Acid | Ligand Info | |||||
| Structure Description | POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00013907 | PDB:6HMM | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [2] |
| PDB Sequence |
DKKWLGTPIE
459 EMRRMPRCGI469 RLPLLRPSAN479 HTVTIRVDLL489 RAGEVPKPFP499 THYKDLWDNK 509 HVKMPCSEQN519 LYPVTAGSRW536 ELIQTALLNK546 FTRPQNLKDA556 ILKYNVAYSK 566 KWDFTALIDF576 WDKVLEEAEA586 QHLYQSILPD596 MVKIALCLPN606 ICTQPIPLLA 616 AAMNHSITMS626 QEQIASLLAN636 AFFCTFPRRN646 AKMKSEYSSY656 PDINFNRLFE 666 GRSSRKPEKL676 KTLFCYFRRV686 TAAAPTGLVT696 FTRQSLEDFP706 EWEREKPLTR 717 LHVTYEGTIE727 ENGQGMLQVD737 FANRFVGGGV747 TSAGLVQEEI757 RFLINPELII 767 SRLFTEVLDH777 NECLIITGTE787 QYSEYTGYAE797 TYRWSRSHED807 GSERDDWQRR 817 CTEIVAIDAL827 HFRRYLDQFV837 PEKMRRELNK847 AYCGFLRPGV857 SSENLSAVAT 867 GNWGCGAFGG877 DARLKALIQI887 LAAAAAERDV897 VYFTFGDSEL907 MRDIYSMHIF 917 LTERKLTVGD927 VYKLLLRYYN937 EECRNSTPGP948 DIKLYPFIYH958 AVESC |
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PRO706
4.656
GLU707
3.394
TRP708
3.088
GLU709
3.599
ARG710
1.349
GLU712
1.349
LYS713
3.410
LEU833
3.811
ALA892
4.633
THR924
3.424
VAL925
3.606
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Adenosine-5-diphosphoribose | Ligand Info | |||||
| Structure Description | Human poly(ADP-ribose) glycohydrolase in complex with synthetic dimeric ADP-ribose | PDB:5A7R | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [3] |
| PDB Sequence |
DKKWLGTPIE
459 EMRRMPRCGI469 RLPLLRPSAN479 HTVTIRVDLL489 RAGEVPKPFP499 THYKDLWDNK 509 HVKMPCSEQN519 LYPVAGSRWE537 LIQTALLNKF547 TRPQNLKDAI557 LKYNVAYSKK 567 WDFTALIDFW577 DKVLEEAEAQ587 HLYQSILPDM597 VKIALCLPNI607 CTQPIPLLAA 617 AMNHSITMSQ627 EQIASLLANA637 FFCTFPRRNA647 KMKSEYSSYP657 DINFNRLFEG 667 RSSRKPEKLK677 TLFCYFRRVT687 AAAPTGLVTF697 TRQSLEDFPE707 WERCEKPLTR 717 LHVTYEGTIE727 ENGQGMLQVD737 FANRFVGGGV747 TSAGLVQENI757 RFLINPELII 767 SRLFTEVLDH777 NECLIITGTE787 QYSEYTGYAE797 TYRWSRSHED807 GSERDDWQRR 817 CTEIVAIDAL827 HFRRYLDQFV837 PEKMRRELNK847 AYCGFLRPGV857 SSENLSAVAT 867 GNWGCGAFGG877 DARLKALIQI887 LAAAAAERDV897 VYFTFGDSEL907 MRDIYSMHIF 917 LTERKLTVGD927 VYKLLLRYYN937 EECRNCSTPG947 PDIKLYPFIY957 HAVESC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AR6 or .AR62 or .AR63 or :3AR6;style chemicals stick;color identity;select .A:663 or .A:725 or .A:726 or .A:727 or .A:738 or .A:739 or .A:740 or .A:744 or .A:745 or .A:746 or .A:749 or .A:750 or .A:751 or .A:752 or .A:753 or .A:754 or .A:755 or .A:756 or .A:792 or .A:795 or .A:796 or .A:797 or .A:826 or .A:869 or .A:870 or .A:871 or .A:872 or .A:873 or .A:874 or .A:875 or .A:876 or .A:900 or .A:901 or .A:902; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG663
2.888
THR725
3.716
ILE726
3.307
GLU727
2.862
PHE738
3.365
ALA739
3.901
ASN740
3.062
GLY744
4.071
GLY745
3.471
GLY746
3.776
SER749
2.533
ALA750
2.912
GLY751
3.217
LEU752
2.974
VAL753
3.239
GLN754
2.862
GLU755
2.819
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Propanoic acid | Ligand Info | |||||
| Structure Description | Human poly(ADP-ribose) glycohydrolase in complex with synthetic dimeric ADP-ribose | PDB:5A7R | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [3] |
| PDB Sequence |
DKKWLGTPIE
459 EMRRMPRCGI469 RLPLLRPSAN479 HTVTIRVDLL489 RAGEVPKPFP499 THYKDLWDNK 509 HVKMPCSEQN519 LYPVAGSRWE537 LIQTALLNKF547 TRPQNLKDAI557 LKYNVAYSKK 567 WDFTALIDFW577 DKVLEEAEAQ587 HLYQSILPDM597 VKIALCLPNI607 CTQPIPLLAA 617 AMNHSITMSQ627 EQIASLLANA637 FFCTFPRRNA647 KMKSEYSSYP657 DINFNRLFEG 667 RSSRKPEKLK677 TLFCYFRRVT687 AAAPTGLVTF697 TRQSLEDFPE707 WERCEKPLTR 717 LHVTYEGTIE727 ENGQGMLQVD737 FANRFVGGGV747 TSAGLVQENI757 RFLINPELII 767 SRLFTEVLDH777 NECLIITGTE787 QYSEYTGYAE797 TYRWSRSHED807 GSERDDWQRR 817 CTEIVAIDAL827 HFRRYLDQFV837 PEKMRRELNK847 AYCGFLRPGV857 SSENLSAVAT 867 GNWGCGAFGG877 DARLKALIQI887 LAAAAAERDV897 VYFTFGDSEL907 MRDIYSMHIF 917 LTERKLTVGD927 VYKLLLRYYN937 EECRNCSTPG947 PDIKLYPFIY957 HAVESC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PPI or .PPI2 or .PPI3 or :3PPI;style chemicals stick;color identity;select .A:469 or .A:471 or .A:472 or .A:502 or .A:515 or .A:516 or .A:517 or .A:521 or .A:522 or .A:535 or .A:536 or .A:538 or .A:559 or .A:560 or .A:561 or .A:562 or .A:563 or .A:605 or .A:654 or .A:655 or .A:696 or .A:698 or .A:722 or .A:723 or .A:724 or .A:725 or .A:727 or .A:741 or .A:742 or .A:774 or .A:792 or .A:793 or .A:794 or .A:795 or .A:814 or .A:816 or .A:902 or .A:903; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE469
4.158
LEU471
3.555
PRO472
4.617
TYR502
3.820
CYS515
3.221
SER516
4.948
GLU517
3.028
TYR521
3.327
PRO522
4.387
ARG535
2.961
TRP536
4.164
LEU538
4.205
LYS559
3.807
TYR560
3.270
ASN561
3.387
VAL562
2.897
ALA563
4.469
PRO605
4.308
SER654
4.053
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| Ligand Name: Theophylline, 8-(2-pyrrolidinoethyl)thio-6-thio- | Ligand Info | |||||
| Structure Description | Structure of human PARG complexed with JA2-4 | PDB:6O9X | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [4] |
| PDB Sequence |
DKKWLGTPIE
459 EMRRMPRCGI469 RLPLLRPSAN479 HTVTIRVDLL489 RAGEVPKPFP499 THYKDLWDNK 509 HVKMPCSEQN519 LYPVTAGSRW536 ELIQTALLNK546 FTRPQNLKDA556 ILKYNVAYSK 566 KWDFTALIDF576 WDKVLEEAEA586 QHLYQSILPD596 MVKIALCLPN606 ICTQPIPLLA 616 AAMNHSITMS626 QEQIASLLAN636 AFFCTFPRRN646 AKYSSYPDIN660 FNRLFEGRSS 670 RKPEKLKTLF680 CYFRRVTAAA690 PTGLVTFTRQ700 SLEDFPEWER710 CEKPLTRLHV 720 TYEGTIEENG730 QGMLQVDFAN740 RFVGGGVTSA750 GLVQEEIRFL760 INPELIISRL 770 FTEVLDHNEC780 LIITGTEQYS790 EYTGYAETYR800 WSRSHEDGSE810 RDDWQRRCTE 820 IVAIDALHFR830 RYLDQFVPEK840 MRRELNKAYC850 GFLRPGVSSE860 NLSAVATGNW 870 GCGAFGGDAR880 LKALIQILAA890 AAAERDVVYF900 TFGDSELMRD910 IYSMHIFLTE 920 RKLTVGDVYK930 LLLRYYNEEC940 RNCSTPGPDI950 KLYPFIYHAV960 ESC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M0S or .M0S2 or .M0S3 or :3M0S;style chemicals stick;color identity;select .A:724 or .A:725 or .A:726 or .A:727 or .A:738 or .A:753 or .A:754 or .A:757 or .A:792 or .A:795 or .A:867 or .A:868 or .A:869 or .A:872 or .A:873 or .A:900 or .A:902; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid | Ligand Info | |||||
| Structure Description | Structure of human PARG complexed with JA2-9 | PDB:6OA0 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [4] |
| PDB Sequence |
DKKWLGTPIE
459 EMRRMPRCGI469 RLPLLRPSAN479 HTVTIRVDLL489 RAGEVPKPFP499 THYKDLWDNK 509 HVKMPCSEQN519 LYPVTAGSRW536 ELIQTALLNK546 FTRPQNLKDA556 ILKYNVAYSK 566 KWDFTALIDF576 WDKVLEEAEA586 QHLYQSILPD596 MVKIALCLPN606 ICTQPIPLLA 616 AAMNHSITMS626 QEQIASLLAN636 AFFCTFPRRN646 ASSYPDINFN662 RLFEGRSSRK 672 PEKLKTLFCY682 FRRVTAAAPT692 GLVTFTRQSL702 EDFPEWERCE712 KPLTRLHVTY 722 EGTIEENGQG732 MLQVDFANRF742 VGGGVTSAGL752 VQEEIRFLIN762 PELIISRLFT 772 EVLDHNECLI782 ITGTEQYSEY792 TGYAETYRWS802 RSHEDGSERD812 DWQRRCTEIV 822 AIDALHFRRY832 LDQFVPEKMR842 RELNKAYCGF852 LRPGVSSENL862 SAVATGNWGC 872 GAFGGDARLK882 ALIQILAAAA892 AERDVVYFTF902 GDSELMRDIY912 SMHIFLTERK 922 LTVGDVYKLL932 LRYYNEECRN942 CSTPGPDIKL952 YPFIYHAVES962 C |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M1D or .M1D2 or .M1D3 or :3M1D;style chemicals stick;color identity;select .A:725 or .A:727 or .A:738 or .A:754 or .A:792 or .A:794 or .A:795 or .A:796 or .A:902; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 7-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | Ligand Info | |||||
| Structure Description | Structure of human PARG complexed with JA2-8 | PDB:6O9Y | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [4] |
| PDB Sequence |
DKKWLGTPIE
459 EMRRMPRCGI469 RLPLLRPSAN479 HTVTIRVDLL489 RAGEVPKPFP499 THYKDLWDNK 509 HVKMPCSEQN519 LYPVTAGSRW536 ELIQTALLNK546 FTRPQNLKDA556 ILKYNVAYSK 566 KWDFTALIDF576 WDKVLEEAEA586 QHLYQSILPD596 MVKIALCLPN606 ICTQPIPLLA 616 AAMNHSITMS626 QEQIASLLAN636 AFFCTFPRRN646 SSYPDINFNR663 LFEGRSSRKP 673 EKLKTLFCYF683 RRVTAAAPTG693 LVTFTRQSLE703 DFPEWERCEK713 PLTRLHVTYE 723 GTIEENGQGM733 LQVDFANRFV743 GGGVTSAGLV753 QEEIRFLINP763 ELIISRLFTE 773 VLDHNECLII783 TGTEQYSEYT793 GYAETYRWSR803 SHEDGSERDD813 WQRRCTEIVA 823 IDALHFRRYL833 DQFVPEKMRR843 ELNKAYCGFL853 RPGVSSENLS863 AVATGNWGCG 873 AFGGDARLKA883 LIQILAAAAA893 ERDVVYFTFG903 DSELMRDIYS913 MHIFLTERKL 923 TVGDVYKLLL933 RYYNEECRNC943 STPGPDIKLY953 PFIYHAVESC963 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M0V or .M0V2 or .M0V3 or :3M0V;style chemicals stick;color identity;select .A:725 or .A:727 or .A:738 or .A:754 or .A:792 or .A:794 or .A:795 or .A:902 or .A:903 or .A:904; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one | Ligand Info | |||||
| Structure Description | Structure of human PARG complexed with PARG-061 | PDB:7KG8 | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | Yes | [1] |
| PDB Sequence |
KKWLGTPIEE
460 MRRMPRCGIR470 LPLLRPSANH480 TVTIRVDLLR490 AGEVPKPFPT500 HYKDLWDNKH 510 VKMPCSEQNL520 YAGSRWELIQ540 TALLNKFTRP550 QNLKDAILKY560 NVAYSKKWDF 570 TALIDFWDKV580 LEEAEAQHLY590 QSILPDMVKI600 ALLPNICTQP611 IPLLAAAMNH 621 SITMSQEQIA631 SLLANAFFCT641 FPRRNAKMKS651 EYSSYPDINF661 NRLFEGRSSR 671 KPEKLKTLFC681 YFRRVTAAAP691 TGLVTFTRQS701 LEDFPEWERE712 KPLTRLHVTY 722 EGTIEENGQG732 MLQVDFANRF742 VGGGVTSAGL752 VQEEIRFLIN762 PELIISRLFT 772 EVLDHNECLI782 ITGTEQYSEY792 TGYAETYRWS802 RSHEDGSERD812 DWQRRCTEIV 822 AIDALHFRRY832 LDQFVPEKMR842 RELNKAYCGF852 LRPGVSSENL862 SAVATGNWGC 872 GAFGGDARLK882 ALIQILAAAA892 AERDVVYFTF902 GDSELMRDIY912 SMHIFLTERK 922 LTVGDVYKLL932 LRYYNEECRN942 CTPGPDIKLY953 PFIYHAVES
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WDM or .WDM2 or .WDM3 or :3WDM;style chemicals stick;color identity;select .A:724 or .A:725 or .A:726 or .A:727 or .A:738 or .A:753 or .A:754 or .A:757 or .A:792 or .A:795 or .A:867 or .A:868 or .A:869 or .A:872 or .A:873 or .A:874 or .A:875 or .A:900 or .A:901 or .A:902; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY724
4.695
THR725
2.262
ILE726
2.080
GLU727
2.466
PHE738
2.739
VAL753
2.289
GLN754
2.378
ILE757
3.716
TYR792
2.778
TYR795
2.621
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| Ligand Name: 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione | Ligand Info | |||||
| Structure Description | Structure of human PARG complexed with PARG-002 | PDB:7KG1 | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [1] |
| PDB Sequence |
KKWLGTPIEE
460 MRRMPRCGIR470 LPLLRPSANH480 TVTIRVDLLR490 AGEVPKPFPT500 HYKDLWDNKH 510 VKMPCSEQNL520 AGSRWELIQT541 ALLNKFTRPQ551 NLKDAILKYN561 VAYSKKWDFT 571 ALIDFWDKVL581 EEAEAQHLYQ591 SILPDMVKIA601 LLPNICTQPI612 PLLAAAMNHS 622 ITMSQEQIAS632 LLANAFFCTF642 PRRNAKMKSE652 YSSYPDINFN662 RLFEGRSSRK 672 PEKLKTLFCY682 FRRVTAAAPT692 GLVTFTRQSL702 EDFPEWERCE712 KPLTRLHVTY 722 EGTIEENGQG732 MLQVDFANRF742 VGGGVTSAGL752 VQEEIRFLIN762 PELIISRLFT 772 EVLDHNECLI782 ITGTEQYSEY792 TGYAETYRWS802 RSHEDGSERD812 DWQRRCTEIV 822 AIDALHFRRY832 LDQFVPEKMR842 RELNKAYCGF852 LRPGVSSENL862 SAVATGNWGC 872 GAFGGDARLK882 ALIQILAAAA892 AERDVVYFTF902 GDSELMRDIY912 SMHIFLTERK 922 LTVGDVYKLL932 LRYYNEECRN942 CSTPGPDIKL952 YPFIYHAVES962 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WDD or .WDD2 or .WDD3 or :3WDD;style chemicals stick;color identity;select .A:725 or .A:726 or .A:727 or .A:738 or .A:754 or .A:757 or .A:792 or .A:794 or .A:795 or .A:798 or .A:869 or .A:901 or .A:902 or .A:903 or .A:904; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-[[4-[(1,3-Dimethyl-2,6-dioxopurin-7-yl)methyl]phenyl]methyl]-1,3-diazinane-2,4,6-trione | Ligand Info | |||||
| Structure Description | Structure of human PARG complexed with PARG-131 | PDB:7KG0 | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | Yes | [1] |
| PDB Sequence |
KWLGTPIEEM
461 RRMPRCGIRL471 PLLRPSANHT481 VTIRVDLLRA491 GEVPKPFPTH501 YKDLWDNKHV 511 KMPCSEQNLY521 PAGSRWELIQ540 TALLNKFTRP550 QNLKDAILKY560 NVAYSKKWDF 570 TALIDFWDKV580 LEEAEAQHLY590 QSILPDMVKI600 ALLPNICTQP611 IPLLAAAMNH 621 SITMSQEQIA631 SLLANAFFCT641 FPRRNEYSSY656 PDINFNRLFE666 GRSSRKPEKL 676 KTLFCYFRRV686 TAAAPTGLVT696 FTRQSLEDFP706 EWERCEKPLT716 RLHVTYEGTI 726 EENGQGMLQV736 DFANRFVGGG746 VTSAGLVQEE756 IRFLINPELI766 ISRLFTEVLD 776 HNECLIITGT786 EQYSEYTGYA796 ETYRWSRSHE806 DGSERDDWQR816 RCTEIVAIDA 826 LHFRRYLDQF836 VPEKMRRELN846 KAYCGFLRPG856 VSSENLSAVA866 TGNWGCGAFG 876 GDARLKALIQ886 ILAAAAAERD896 VVYFTFGDSE906 LMRDIYSMHI916 FLTERKLTVG 926 DVYKLLLRYY936 NEECRNCSTG947 PDIKLYPFIY957 HAVESC
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WDA or .WDA2 or .WDA3 or :3WDA;style chemicals stick;color identity;select .A:725 or .A:738 or .A:753 or .A:754 or .A:792 or .A:794 or .A:795 or .A:796 or .A:797 or .A:873 or .A:874 or .A:902; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2S,3S)-1,4-Dimercaptobutane-2,3-diol | Ligand Info | |||||
| Structure Description | Structure of unliganded human PARG catalytic domain | PDB:4A0D | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [5] |
| PDB Sequence |
DKKWLGTPIE
459 EMRRMPRCGI469 RLPLLRPSAN479 HTVTIRVDLL489 RAGEVPKPFP499 THYKDLWDNK 509 HVKMPCSEQN519 LYPVTAGSRW536 ELIQTALLNK546 FTRPQNLKDA556 ILKYNVAYSK 566 KWDFTALIDF576 WDKVLEEAEA586 QHLYQSILPD596 MVKIALCLPN606 ICTQPIPLLA 616 AAMNHSITMS626 QEQIASLLAN636 AFFCTFPRRN646 AKMKSEYSSY656 PDINFNRLFE 666 GRSSRKPEKL676 KTLFCYFRRV686 TAAAPTGLVT696 FTRQSLEDFP706 EWERCEKPLT 716 RLHVTYEGTI726 EENGQGMLQV736 DFANRFVGGG746 VTSAGLVQEE756 IRFLINPELI 766 ISRLFTEVLD776 HNECLIITGT786 EQYSEYTGYA796 ETYRWSRSHE806 DGSERDDWQR 816 RCTEIVAIDA826 LHFRRYLDQF836 VPEKMRRELN846 KAYCGFLRPG856 VSSENLSAVA 866 TGNWGCGAFG876 GDARLKALIQ886 ILAAAAAERD896 VVYFTFGDSE906 LMRDIYSMHI 916 FLTERKLTVG926 DVYKLLLRYY936 NEECRNCSTP946 GPDIKLYPFI956 YHAVESC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DTV or .DTV2 or .DTV3 or :3DTV;style chemicals stick;color identity;select .A:603 or .A:606 or .A:705 or .A:706 or .A:707 or .A:711 or .A:712 or .A:713 or .A:849 or .A:892; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Selenomethionine | Ligand Info | |||||
| Structure Description | Structure of unliganded human PARG catalytic domain | PDB:4B1G | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | Yes | [5] |
| PDB Sequence |
KKWLGTPIEE
460 RRPRCGIRLP472 LLRPSANHTV482 TIRVDLLRAG492 EVPKPFPTHY502 KDLWDNKHVK 512 PCSEQNLYPV523 RTAGSRWELI539 QTALLNKFTR549 PQNLKDAILK559 YNVAYSKKWD 569 FTALIDFWDK579 VLEEAEAQHL589 YQSILPDVKI600 ALCLPNICTQ610 PIPLLAAANH 621 SITSQEQIAS632 LLANAFFCTF642 PRRNASEYSS655 YPDINFNRLF665 EGRSSRKPEK 675 LKTLFCYFRR685 VTAAAPTGLV695 TFTRQSLEDF705 PEWERCEKPL715 TRLHVTYEGT 725 IEENGQGLQV736 DFANRFVGGG746 VTSAGLVQEE756 IRFLINPELI766 ISRLFTEVLD 776 HNECLIITGT786 EQYSEYTGYA796 ETYRWSRSHE806 DGSERDDWQR816 RCTEIVAIDA 826 LHFRRYLDQF836 VPEKRRELNK847 AYCGFLRPGV857 SSENLSAVAT867 GNWGCGAFGG 877 DARLKALIQI887 LAAAAAERDV897 VYFTFGDSEL907 RDIYSHIFLT919 ERKLTVGDVY 929 KLLLRYYNEE939 CRNCPDIKLY953 PFIYHAVES
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MSE or .MSE2 or .MSE3 or :3MSE;style chemicals stick;color identity;select .A:451 or .A:452 or .A:453 or .A:454 or .A:456 or .A:457 or .A:458 or .A:459 or .A:460 or .A:462 or .A:463 or .A:465 or .A:466 or .A:467 or .A:468 or .A:483 or .A:484 or .A:502 or .A:504 or .A:506 or .A:511 or .A:512 or .A:514 or .A:515 or .A:516 or .A:519 or .A:593 or .A:594 or .A:595 or .A:596 or .A:598 or .A:599 or .A:600 or .A:601 or .A:602 or .A:604 or .A:608 or .A:612 or .A:614 or .A:615 or .A:616 or .A:617 or .A:618 or .A:620 or .A:621 or .A:623 or .A:624 or .A:626 or .A:627 or .A:629 or .A:630 or .A:633 or .A:635 or .A:638 or .A:639 or .A:642 or .A:643 or .A:680 or .A:683 or .A:687 or .A:693 or .A:694 or .A:695 or .A:697 or .A:699 or .A:700 or .A:701 or .A:717 or .A:718 or .A:719 or .A:720 or .A:721 or .A:722 or .A:729 or .A:730 or .A:731 or .A:732 or .A:734 or .A:735 or .A:767 or .A:771 or .A:779 or .A:818 or .A:820 or .A:835 or .A:836 or .A:837 or .A:838 or .A:839 or .A:840 or .A:842 or .A:843 or .A:844 or .A:845 or .A:861 or .A:863 or .A:864 or .A:865 or .A:866 or .A:881 or .A:884 or .A:885 or .A:896 or .A:897 or .A:898 or .A:901 or .A:904 or .A:905 or .A:906 or .A:907 or .A:909 or .A:910 or .A:911 or .A:912 or .A:913 or .A:915 or .A:916 or .A:917 or .A:918 or .A:919 or .A:929 or .A:932 or .A:933 or .A:936 or .A:953 or .A:956 or .A:957; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS451
3.429
LYS452
3.473
TRP453
3.767
LEU454
3.600
THR456
3.585
PRO457
3.831
ILE458
3.140
GLU459
3.344
GLU460
1.324
ARG462
1.328
ARG463
1.326
PRO465
1.352
ARG466
3.338
CYS467
3.369
GLY468
3.578
THR483
3.197
ILE484
4.809
TYR502
3.295
ASP504
4.391
TRP506
3.597
VAL511
3.536
LYS512
1.328
PRO514
1.333
CYS515
3.074
SER516
3.115
ASN519
4.307
ILE593
2.988
LEU594
3.218
PRO595
3.253
ASP596
1.335
VAL598
1.345
LYS599
3.234
ILE600
3.363
ALA601
2.895
LEU602
4.993
LEU604
3.630
CYS608
3.724
ILE612
4.194
LEU614
3.449
LEU615
4.443
ALA616
3.040
ALA617
3.086
ALA618
1.328
ASN620
1.325
HIS621
3.544
ILE623
3.790
THR624
1.329
SER626
1.322
GLN627
3.970
GLN629
3.577
ILE630
3.869
LEU633
4.278
ALA635
3.618
PHE638
3.469
PHE639
3.660
PHE642
4.644
PRO643
3.928
PHE680
3.796
PHE683
3.522
THR687
4.292
GLY693
4.429
LEU694
3.231
VAL695
2.861
PHE697
4.187
ARG699
3.407
GLN700
4.594
SER701
4.617
ARG717
3.937
LEU718
3.559
HIS719
3.401
VAL720
3.596
THR721
3.857
TYR722
3.777
ASN729
4.557
GLY730
3.132
GLN731
3.186
GLY732
1.337
LEU734
1.327
GLN735
3.183
ILE767
4.742
PHE771
4.483
GLU779
4.391
CYS818
4.459
GLU820
3.563
GLN835
3.227
PHE836
3.356
VAL837
2.960
PRO838
3.274
GLU839
3.464
LYS840
1.331
ARG842
1.336
ARG843
3.279
GLU844
3.228
LEU845
2.966
ASN861
4.548
SER863
3.569
ALA864
3.163
VAL865
4.827
ALA866
3.978
LEU881
4.199
LEU884
4.629
ILE885
4.259
ASP896
3.682
VAL897
3.814
VAL898
3.856
THR901
3.763
ASP904
3.250
SER905
3.322
GLU906
3.282
LEU907
1.332
ARG909
1.331
ASP910
3.089
ILE911
3.312
TYR912
3.023
SER913
1.320
HIS915
1.330
ILE916
3.312
PHE917
3.097
LEU918
2.930
THR919
4.893
TYR929
4.787
LEU932
3.539
LEU933
4.014
TYR936
4.616
TYR953
3.360
ILE956
3.752
TYR957
3.149
|
|||||
| Ligand Name: 8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | Ligand Info | |||||
| Structure Description | Structure of human PARG complexed with PARG-292 | PDB:7KG7 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [1] |
| PDB Sequence |
KKWLGTPIEE
460 MRRMPRCGIR470 LPLLRPSANH480 TVTIRVDLLR490 AGEVPKPFPT500 HYKDLWDNKH 510 VKMPCSEQNL520 YPAGSRWELI539 QTALLNKFTR549 PQNLKDAILK559 YNVAYSKKWD 569 FTALIDFWDK579 VLEEAEAQHL589 YQSILPDMVK599 IALLPNICTQ610 PIPLLAAAMN 620 HSITMSQEQI630 ASLLANAFFC640 TFPRRNAKMK650 SEYSSYPDIN660 FNRLFEGRSS 670 RKPEKLKTLF680 CYFRRVTAAA690 PTGLVTFTRQ700 SLEDFPEWER710 CEKPLTRLHV 720 TYEGTIEENG730 QGMLQVDFAN740 RFVGGGVTSA750 GLVQEEIRFL760 INPELIISRL 770 FTEVLDHNEC780 LIITGTEQYS790 EYTGYAETYR800 WSRSHEDGSE810 RDDWQRRCTE 820 IVAIDALHFR830 RYLDQFVPEK840 MRRELNKAYC850 GFLRPGVSSE860 NLSAVATGNW 870 GCGAFGGDAR880 LKALIQILAA890 AAAERDVVYF900 TFGDSELMRD910 IYSMHIFLTE 920 RKLTVGDVYK930 LLLRYYNEEC940 RNCGPDIKLY953 PFIYHAVES
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WDJ or .WDJ2 or .WDJ3 or :3WDJ;style chemicals stick;color identity;select .A:724 or .A:725 or .A:726 or .A:727 or .A:738 or .A:753 or .A:754 or .A:757 or .A:758 or .A:792 or .A:795 or .A:796 or .A:867 or .A:868 or .A:869 or .A:871 or .A:872 or .A:873 or .A:879 or .A:900 or .A:901 or .A:902; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY724
4.592
THR725
2.050
ILE726
2.168
GLU727
2.820
PHE738
2.983
VAL753
2.148
GLN754
2.782
ILE757
3.666
ARG758
5.000
TYR792
2.753
TYR795
3.027
|
|||||
| Ligand Name: Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol | Ligand Info | |||||
| Structure Description | Human poly(ADP-ribose) glycohydrolase in complex with ADP-HPM | PDB:6HH6 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [6] |
| PDB Sequence |
DKKWLGTPIE
459 EMRRMPRCGI469 RLPLLRPSAN479 HTVTIRVDLL489 RAGEVPKPFP499 THYKDLWDNK 509 HVKMPCSEQN519 LYPVAGSRWE537 LIQTALLNKF547 TRPQNLKDAI557 LKYNVAYSKK 567 WDFTALIDFW577 DKVLEEAEAQ587 HLYQSILPDM597 VKIALCLPNI607 CTQPIPLLAA 617 AMNHSITMSQ627 EQIASLLANA637 FFCTFPRRNA647 KMKSEYSSYP657 DINFNRLFEG 667 RSSRKPEKLK677 TLFCYFRRVT687 AAAPTGLVTF697 TRQSLEDFPE707 WERCEKPLTR 717 LHVTYEGTIE727 ENGQGMLQVD737 FANRFVGGGV747 TSAGLVQEEI757 RFLINPELII 767 SRLFTEVLDH777 NECLIITGTE787 QYSEYTGYAE797 TYRWSRSHED807 GSERDDWQRR 817 CTEIVAIDAL827 HFRRYLDQFV837 PEKMRRELNK847 AYCGFLRPGV857 SSENLSAVAT 867 GNWGCGAFGG877 DARLKALIQI887 LAAAAAERDV897 VYFTFGDSEL907 MRDIYSMHIF 917 LTERKLTVGD927 VYKLLLRYYN937 EECRNCSTPG947 PDIKLYPFIY957 HAVESC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A3R or .A3R2 or .A3R3 or :3A3R;style chemicals stick;color identity;select .A:725 or .A:726 or .A:727 or .A:738 or .A:739 or .A:740 or .A:744 or .A:745 or .A:746 or .A:753 or .A:754 or .A:755 or .A:756 or .A:792 or .A:795 or .A:826 or .A:869 or .A:870 or .A:871 or .A:872 or .A:873 or .A:874 or .A:875 or .A:876 or .A:900 or .A:901 or .A:902; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR725
3.805
ILE726
3.333
GLU727
2.870
PHE738
3.404
ALA739
3.716
ASN740
3.448
GLY744
4.401
GLY745
3.186
GLY746
4.567
VAL753
3.347
GLN754
3.049
GLU755
2.756
GLU756
3.374
TYR792
3.932
|
|||||
| Ligand Name: N-tert-butyl-9,10-dioxoanthracene-2-sulfonamide | Ligand Info | |||||
| Structure Description | POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00013907 | PDB:6HMM | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [2] |
| PDB Sequence |
DKKWLGTPIE
459 EMRRMPRCGI469 RLPLLRPSAN479 HTVTIRVDLL489 RAGEVPKPFP499 THYKDLWDNK 509 HVKMPCSEQN519 LYPVTAGSRW536 ELIQTALLNK546 FTRPQNLKDA556 ILKYNVAYSK 566 KWDFTALIDF576 WDKVLEEAEA586 QHLYQSILPD596 MVKIALCLPN606 ICTQPIPLLA 616 AAMNHSITMS626 QEQIASLLAN636 AFFCTFPRRN646 AKMKSEYSSY656 PDINFNRLFE 666 GRSSRKPEKL676 KTLFCYFRRV686 TAAAPTGLVT696 FTRQSLEDFP706 EWEREKPLTR 717 LHVTYEGTIE727 ENGQGMLQVD737 FANRFVGGGV747 TSAGLVQEEI757 RFLINPELII 767 SRLFTEVLDH777 NECLIITGTE787 QYSEYTGYAE797 TYRWSRSHED807 GSERDDWQRR 817 CTEIVAIDAL827 HFRRYLDQFV837 PEKMRRELNK847 AYCGFLRPGV857 SSENLSAVAT 867 GNWGCGAFGG877 DARLKALIQI887 LAAAAAERDV897 VYFTFGDSEL907 MRDIYSMHIF 917 LTERKLTVGD927 VYKLLLRYYN937 EECRNSTPGP948 DIKLYPFIYH958 AVESC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7JB or .7JB2 or .7JB3 or :37JB;style chemicals stick;color identity;select .A:725 or .A:726 or .A:727 or .A:738 or .A:754 or .A:757 or .A:758 or .A:761 or .A:792 or .A:794 or .A:795 or .A:902; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl]carbamoyl}methanesulfonamide | Ligand Info | |||||
| Structure Description | Structure of human PARG complexed with PARG-119 | PDB:7KFP | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [1] |
| PDB Sequence |
KKWLGTPIEE
460 MRRMPRRLPL473 LRPSANHTVT483 IRVDLLRAGE493 VPKPFPTHYK503 DLWDNKHVKM 513 PCSEQNLYGS534 RWELIQTALL544 NKFTRPQNLK554 DAILKYNVAY564 SKKWDFTALI 574 DFWDKVLEEA584 EAQHLYQSIL594 PDMVKIALLP605 NICTQPIPLL615 AAAMNHSITM 625 SQEQIASLLA635 NAFFCTFPRR645 NAKMKSEYSS655 YPDINFNRLF665 EGRSSRKPEK 675 LKTLFCYFRR685 VTAAAPTGLV695 TFTRQSLEDF705 PEWERCEKPL715 TRLHVTYEGT 725 IEENGQGMLQ735 VDFANRFVGG745 GVTSAGLVQE755 EIRFLINPEL765 IISRLFTEVL 775 DHNECLIITG785 TEQYSEYTGY795 AETYRWSRSH805 EDGSERDDWQ815 RRCTEIVAID 825 ALHFRRYLDQ835 FVPEKMRREL845 NKAYCGFLRP855 GVSSENLSAV865 ATGNWGCGAF 875 GGDARLKALI885 QILAAAAAER895 DVVYFTFGDS905 ELMRDIYSMH915 IFLTERKLTV 925 GDVYKLLLRY935 YNEECRNCST945 PGPDIKLYPF955 IYHAVE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WD7 or .WD72 or .WD73 or :3WD7;style chemicals stick;color identity;select .A:724 or .A:725 or .A:726 or .A:727 or .A:738 or .A:752 or .A:753 or .A:754 or .A:755 or .A:757 or .A:792 or .A:795 or .A:796 or .A:867 or .A:868 or .A:869 or .A:870 or .A:871 or .A:872 or .A:873 or .A:874 or .A:875 or .A:900 or .A:901 or .A:902; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY724
4.582
THR725
2.786
ILE726
2.421
GLU727
2.484
PHE738
2.712
LEU752
4.970
VAL753
2.560
GLN754
2.274
GLU755
4.447
ILE757
3.157
TYR792
2.366
TYR795
2.890
ALA796
4.859
|
|||||
| Ligand Name: 1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid | Ligand Info | |||||
| Structure Description | Structure of human PARG complexed with PARG-322 | PDB:7KG6 | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | Yes | [1] |
| PDB Sequence |
KKWLGTPIEE
460 MRRMPRCGIR470 LPLLRPSANH480 TVTIRVDLLR490 AGEVPKPFPT500 HYKDLWDNKH 510 VKMPCSEQNL520 YAGSRWELIQ540 TALLNKFTRP550 QNLKDAILKY560 NVAYSKKWDF 570 TALIDFWDKV580 LEEAEAQHLY590 QSILPDMVKI600 ALLPNICTQP611 IPLLAAAMNH 621 SITMSQEQIA631 SLLANAFFCT641 FPRRNAKMKS651 EYSSYPDINF661 NRLFEGRSSR 671 KPEKLKTLFC681 YFRRVTAAAP691 TGLVTFTRQS701 LEDFPEWERC711 EKPLTRLHVT 721 YEGTIEENGQ731 GMLQVDFANR741 FVGGGVTSAG751 LVQEEIRFLI761 NPELIISRLF 771 TEVLDHNECL781 IITGTEQYSE791 YTGYAETYRW801 SRSHEDGSER811 DDWQRRCTEI 821 VAIDALHFRR831 YLDQFVPEKM841 RRELNKAYCG851 FLRPVSSENL862 SAVATGNWGC 872 GAFGGDARLK882 ALIQILAAAA892 AERDVVYFTF902 GDSELMRDIY912 SMHIFLTERK 922 LTVGDVYKLL932 LRYYNEECRN942 CGPDIKLYPF955 IYHAVES
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WDG or .WDG2 or .WDG3 or :3WDG;style chemicals stick;color identity;select .A:724 or .A:725 or .A:726 or .A:727 or .A:738 or .A:752 or .A:753 or .A:754 or .A:757 or .A:792 or .A:795 or .A:796 or .A:867 or .A:868 or .A:869 or .A:872 or .A:873 or .A:874 or .A:900 or .A:901 or .A:902; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY724
4.627
THR725
2.037
ILE726
2.047
GLU727
2.700
PHE738
2.768
LEU752
4.656
VAL753
2.204
GLN754
2.723
ILE757
3.672
TYR792
2.571
TYR795
2.167
|
|||||
| Ligand Name: (2~{R})-2-azanyl-3-[[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid | Ligand Info | |||||
| Structure Description | POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00016690 | PDB:6HMK | ||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | Yes | [2] |
| PDB Sequence |
DKKWLGTPIE
459 EMRRMPRCGI469 RLPLLRPSAN479 HTVTIRVDLL489 RAGEVPKPFP499 THYKDLWDNK 509 HVKMPCSEQN519 LYPVETAGSR535 WELIQTALLN545 KFTRPQNLKD555 AILKYNVAYS 565 KKWDFTALID575 FWDKVLEEAE585 AQHLYQSILP595 DMVKIALCLP605 NICTQPIPLL 615 AAAMNHSITM625 SQEQIASLLA635 NAFFCTFPRR645 NAKMKSEYSS655 YPDINFNRLF 665 EGRSSRKPEK675 LKTLFYFRRV686 TAAAPTGLVT696 FTRQSLEDFP706 EWERCEKPLT 716 RLHVTYEGTI726 EENGQGMLQV736 DFANRFVGGG746 VTSAGLVQEE756 IRFLINPELI 766 ISRLFTEVLD776 HNECLIITGT786 EQYSEYTGYA796 ETYRWSRSHE806 DGSERDDWQR 816 RCTEIVAIDA826 LHFRRYLDQF836 VPEKMRRELN846 KAYCGFLRPG856 VSSENLSAVA 866 TGNWGCGAFG876 GDARLKALIQ886 ILAAAAAERD896 VVYFTFGDSE906 LMRDIYSMHI 916 FLTERKLTVG926 DVYKLLLRYY936 NEECRNCSTP948 DIKLYPFIYH958 AVESC |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6WK or .6WK2 or .6WK3 or :36WK;style chemicals stick;color identity;select .A:588 or .A:593 or .A:676 or .A:677 or .A:678 or .A:679 or .A:680 or .A:682 or .A:683 or .A:684 or .A:685 or .A:789 or .A:790 or .A:801 or .A:803 or .A:804; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide | Ligand Info | |||||
| Structure Description | POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00016690 | PDB:6HMK | ||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | Yes | [2] |
| PDB Sequence |
DKKWLGTPIE
459 EMRRMPRCGI469 RLPLLRPSAN479 HTVTIRVDLL489 RAGEVPKPFP499 THYKDLWDNK 509 HVKMPCSEQN519 LYPVETAGSR535 WELIQTALLN545 KFTRPQNLKD555 AILKYNVAYS 565 KKWDFTALID575 FWDKVLEEAE585 AQHLYQSILP595 DMVKIALCLP605 NICTQPIPLL 615 AAAMNHSITM625 SQEQIASLLA635 NAFFCTFPRR645 NAKMKSEYSS655 YPDINFNRLF 665 EGRSSRKPEK675 LKTLFYFRRV686 TAAAPTGLVT696 FTRQSLEDFP706 EWERCEKPLT 716 RLHVTYEGTI726 EENGQGMLQV736 DFANRFVGGG746 VTSAGLVQEE756 IRFLINPELI 766 ISRLFTEVLD776 HNECLIITGT786 EQYSEYTGYA796 ETYRWSRSHE806 DGSERDDWQR 816 RCTEIVAIDA826 LHFRRYLDQF836 VPEKMRRELN846 KAYCGFLRPG856 VSSENLSAVA 866 TGNWGCGAFG876 GDARLKALIQ886 ILAAAAAERD896 VVYFTFGDSE906 LMRDIYSMHI 916 FLTERKLTVG926 DVYKLLLRYY936 NEECRNCSTP948 DIKLYPFIYH958 AVESC |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7JC or .7JC2 or .7JC3 or :37JC;style chemicals stick;color identity;select .A:724 or .A:725 or .A:726 or .A:727 or .A:738 or .A:753 or .A:754 or .A:755 or .A:757 or .A:758 or .A:761 or .A:792 or .A:794 or .A:795 or .A:869 or .A:872 or .A:901 or .A:902 or .A:903 or .A:904 or .A:907; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY724
4.873
THR725
3.236
ILE726
2.815
GLU727
1.922
PHE738
3.976
VAL753
4.366
GLN754
2.397
GLU755
4.387
ILE757
2.981
ARG758
3.167
ILE761
3.632
|
|||||
| Ligand Name: 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-Dihydroxypyrrolidin-2-YL]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine | Ligand Info | |||||
| Structure Description | Structure of human PARG catalytic domain in complex with ADP-HPD | PDB:4B1J | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | Yes | [5] |
| PDB Sequence |
KKWLGTPIEE
460 MRRMPRCGIR470 LPLLRPSANH480 TVTIRVDLLR490 AGEVPKPFPT500 HYKDLWDNKH 510 VKMPCSEQNL520 YPVERTAGSR535 WELIQTALLN545 KFTRPQNLKD555 AILKYNVAYS 565 KKWDFTALID575 FWDKVLEEAE585 AQHLYQSILP595 DMVKIALLPN606 ICTQPIPLLA 616 AAMNHSITMS626 QEQIASLLAN636 AFFCTFPRRN646 AKMKSEYSSY656 PDINFNRLFE 666 GRSSRKPEKL676 KTLFCYFRRV686 TAAAPTGLVT696 FTRQSLEDFP706 EWERCEKPLT 716 RLHVTYEGTI726 EENGQGMLQV736 DFANRFVGGG746 VTSAGLVQEE756 IRFLINPELI 766 ISRLFTEVLD776 HNECLIITGT786 EQYSEYTGYA796 ETYRWSRSHE806 DGSERDDWQR 816 RCTEIVAIDA826 LHFRRYLDQF836 VPEKMRRELN846 KAYCGFLRPG856 VSSENLSAVA 866 TGNWGCGAFG876 GDARLKALIQ886 ILAAAAAERD896 VVYFTFGDSE906 LMRDIYSMHI 916 FLTERKLTVG926 DVYKLLLRYY936 NEECRNCSTP946 GPDIKLYPFI956 YHAVESC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A1R or .A1R2 or .A1R3 or :3A1R;style chemicals stick;color identity;select .A:725 or .A:726 or .A:727 or .A:738 or .A:739 or .A:740 or .A:744 or .A:745 or .A:746 or .A:753 or .A:754 or .A:755 or .A:756 or .A:792 or .A:795 or .A:826 or .A:869 or .A:870 or .A:871 or .A:872 or .A:873 or .A:874 or .A:875 or .A:876 or .A:900 or .A:901 or .A:902; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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THR725
3.854
ILE726
3.472
GLU727
2.942
PHE738
3.362
ALA739
3.927
ASN740
3.098
GLY744
4.398
GLY745
3.250
GLY746
4.600
VAL753
3.275
GLN754
2.941
GLU755
2.633
GLU756
3.460
TYR792
3.686
|
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| Ligand Name: Thiocysteine | Ligand Info | |||||
| Structure Description | Structure of human PARG catalytic domain in complex with ADP-HPD | PDB:4B1J | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | Yes | [5] |
| PDB Sequence |
KKWLGTPIEE
460 MRRMPRCGIR470 LPLLRPSANH480 TVTIRVDLLR490 AGEVPKPFPT500 HYKDLWDNKH 510 VKMPCSEQNL520 YPVERTAGSR535 WELIQTALLN545 KFTRPQNLKD555 AILKYNVAYS 565 KKWDFTALID575 FWDKVLEEAE585 AQHLYQSILP595 DMVKIALLPN606 ICTQPIPLLA 616 AAMNHSITMS626 QEQIASLLAN636 AFFCTFPRRN646 AKMKSEYSSY656 PDINFNRLFE 666 GRSSRKPEKL676 KTLFCYFRRV686 TAAAPTGLVT696 FTRQSLEDFP706 EWERCEKPLT 716 RLHVTYEGTI726 EENGQGMLQV736 DFANRFVGGG746 VTSAGLVQEE756 IRFLINPELI 766 ISRLFTEVLD776 HNECLIITGT786 EQYSEYTGYA796 ETYRWSRSHE806 DGSERDDWQR 816 RCTEIVAIDA826 LHFRRYLDQF836 VPEKMRRELN846 KAYCGFLRPG856 VSSENLSAVA 866 TGNWGCGAFG876 GDARLKALIQ886 ILAAAAAERD896 VVYFTFGDSE906 LMRDIYSMHI 916 FLTERKLTVG926 DVYKLLLRYY936 NEECRNCSTP946 GPDIKLYPFI956 YHAVESC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSS or .CSS2 or .CSS3 or :3CSS;style chemicals stick;color identity;select .A:598 or .A:599 or .A:600 or .A:601 or .A:602 or .A:604 or .A:605 or .A:606 or .A:607 or .A:632; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 8-N-Octylamino-Adenosine Diphosphate Hydroxypyrrolidinediol | Ligand Info | |||||
| Structure Description | Structure of human PARG catalytic domain in complex with OA-ADP-HPD | PDB:4B1I | ||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | Yes | [5] |
| PDB Sequence |
DKKWLGTPIE
459 EMRRMPRCGI469 RLPLLRPSAN479 HTVTIRVDLL489 RAGEVPKPFP499 THYKDLWDNK 509 HVKMPCSEQN519 LYPVTAGSRW536 ELIQTALLNK546 FTRPQNLKDA556 ILKYNVAYSK 566 KWDFTALIDF576 WDKVLEEAEA586 QHLYQSILPD596 MVKIALCLPN606 ICTQPIPLLA 616 AAMNHSITMS626 QEQIASLLAN636 AFFCTFPRRN646 AKMKSEYSSY656 PDINFNRLFE 666 GRSSRKPEKL676 KTLFCYFRRV686 TAAAPTGLVT696 FTRQSLEDFP706 EWERCEKPLT 716 RLHVTYEGTI726 EENGQGMLQV736 DFANRFVGGG746 VTSAGLVQEE756 IRFLINPELI 766 ISRLFTEVLD776 HNECLIITGT786 EQYSEYTGYA796 ETYRWSRSHE806 DGSERDDWQR 816 RCTEIVAIDA826 LHFRRYLDQF836 VPEKMRRELN846 KAYCGFLRPG856 VSSENLSAVA 866 TGNWGCGAFG876 GDARLKALIQ886 ILAAAAAERD896 VVYFTFGDSE906 LMRDIYSMHI 916 FLTERKLTVG926 DVYKLLLRYY936 NEECRNCSTP946 GPDIKLYPFI956 YHAVESC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A8P or .A8P2 or .A8P3 or :3A8P;style chemicals stick;color identity;select .A:725 or .A:726 or .A:727 or .A:738 or .A:739 or .A:740 or .A:744 or .A:745 or .A:746 or .A:753 or .A:754 or .A:755 or .A:756 or .A:792 or .A:795 or .A:826 or .A:869 or .A:870 or .A:871 or .A:872 or .A:873 or .A:874 or .A:875 or .A:876 or .A:900 or .A:901 or .A:902; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR725
3.731
ILE726
3.370
GLU727
2.894
PHE738
3.219
ALA739
3.938
ASN740
3.087
GLY744
4.333
GLY745
3.149
GLY746
4.583
VAL753
3.270
GLN754
3.009
GLU755
2.617
GLU756
3.374
TYR792
3.678
|
|||||
| Ligand Name: 1-(Cyclopropylmethyl)-6-[dihydroxy-[(1-methylcyclopropyl)amino]-lambda4-sulfanyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-2,4-dione | Ligand Info | |||||
| Structure Description | POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00017262 | PDB:5LHB | ||||
| Method | X-ray diffraction | Resolution | 2.23 Å | Mutation | Yes | [7] |
| PDB Sequence |
DKKWLGTPIE
459 EMRRMPRCGI469 RLPLLRPSAN479 HTVTIRVDLL489 RAGEVPKPFP499 THYKDLWDNK 509 HVKMPCSEQN519 LYPVEERTAG533 SRWELIQTAL543 LNKFTRPQNL553 KDAILKYNVA 563 YSKKWDFTAL573 IDFWDKVLEE583 AEAQHLYQSI593 LPDMVKIALC603 LPNICTQPIP 613 LLAAAMNHSI623 TMSQEQIASL633 LANAFFCTFP643 RRNAKMKSEY653 SSYPDINFNR 663 LFEGRSSRKP673 EKLKTLFYFR684 RVTAAAPTGL694 VTFTRQSLED704 FPEWERCEKP 714 LTRLHVTYEG724 TIEENGQGML734 QVDFANRFVG744 GGVTSAGLVQ754 EEIRFLINPE 764 LIISRLFTEV774 LDHNECLIIT784 GTEQYSEYTG794 YAETYRWSRS804 HEDGSERDDW 814 QRRCTEIVAI824 DALHFRRYLD834 QFVPEKMRRE844 LNKAYCGFLR854 PGVSSENLSA 864 VATGNWGCGA874 FGGDARLKAL884 IQILAAAAAE894 RDVVYFTFGD904 SELMRDIYSM 914 HIFLTERKLT924 VGDVYKLLLR934 YYNEECRNCS944 TPDIKLYPFI956 YHAVESC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6WJ or .6WJ2 or .6WJ3 or :36WJ;style chemicals stick;color identity;select .A:724 or .A:725 or .A:726 or .A:727 or .A:738 or .A:753 or .A:754 or .A:755 or .A:757 or .A:758 or .A:761 or .A:792 or .A:794 or .A:795 or .A:869 or .A:872 or .A:901 or .A:902 or .A:903 or .A:904 or .A:907; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY724
4.843
THR725
3.162
ILE726
2.829
GLU727
1.885
PHE738
4.032
VAL753
4.527
GLN754
2.398
GLU755
4.397
ILE757
2.980
ARG758
3.227
ILE761
3.461
|
|||||
| Ligand Name: 6-[Dihydroxy-[(1-methylcyclopropyl)amino]-lambda4-sulfanyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione | Ligand Info | |||||
| Structure Description | POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00017299 | PDB:6HML | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | Yes | [2] |
| PDB Sequence |
PDKKWLGTPI
458 EEMRRIRLPL473 LRPSANHTVT483 IRVDLLRAGE493 VPKPFPTHYK503 DLWDNKHVKM 513 PCSEQNLYPV523 TAGSRWELIQ540 TALLNKFTRP550 QNLKDAILKY560 NVAYSKKWDF 570 TALIDFWDKV580 LEEAEAQHLY590 QSILPDMVKI600 ALCLPNICTQ610 PIPLLAAAMN 620 HSITMSQEQI630 ASLLANAFFC640 TFPRRNAKMK650 SEYSSYPDIN660 FNRLFEGRSS 670 RKPEKLKTLF680 YFRRVTAAAP691 TGLVTFTRQS701 LEDFPEWERC711 EKPLTRLHVT 721 YEGTIEENGQ731 GMLQVDFANR741 FVGGGVTSAG751 LVQEEIRFLI761 NPELIISRLF 771 TEVLDHNECL781 IITGTEQYSE791 YTGYAETYRW801 SRSHEDGSER811 DDWQRRCTEI 821 VAIDALHFRR831 YLDQFVPEKM841 RRELNKAYCG851 FLRPGVSSEN861 LSAVATGNWG 871 CGAFGGDARL881 KALIQILAAA891 AAERDVVYFT901 FGDSELMRDI911 YSMHIFLTER 921 KLTVGDVYKL931 LLRYYNEECR941 NCSTPDIKLY953 PFIYHAVESC963 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .73L or .73L2 or .73L3 or :373L;style chemicals stick;color identity;select .A:722 or .A:723 or .A:724 or .A:725 or .A:726 or .A:727 or .A:738 or .A:753 or .A:754 or .A:755 or .A:757 or .A:758 or .A:761 or .A:792 or .A:794 or .A:795 or .A:869 or .A:872 or .A:901 or .A:902 or .A:903 or .A:904 or .A:907; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR722
2.966
GLU723
3.824
GLY724
3.703
THR725
2.974
ILE726
2.832
GLU727
1.831
PHE738
4.099
VAL753
4.446
GLN754
2.396
GLU755
4.401
ILE757
2.957
ARG758
3.034
|
|||||
| Ligand Name: 1-Benzyl-6-[dihydroxy-[(1-methylcyclopropyl)amino]-lambda4-sulfanyl]-3-methylquinazoline-2,4-dione | Ligand Info | |||||
| Structure Description | POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00014909 | PDB:6HMN | ||||
| Method | X-ray diffraction | Resolution | 2.87 Å | Mutation | Yes | [2] |
| PDB Sequence |
DKKWLGTPIE
459 EMRRMPRLPL473 LRPSANHTVT483 IRVDLLRAGE493 VPKPFPTHYK503 DLWDNKHVKM 513 PCSEQNLYPV523 EDTAGSRWEL538 IQTALLNKFT548 RPQNLKDAIL558 KYNVAYSKKW 568 DFTALIDFWD578 KVLEEAEAQH588 LYQSILPDMV598 KIALCLPNIC608 TQPIPLLAAA 618 MNHSITMSQE628 QIASLLANAF638 FCTFPRRNAK648 MKSEYSSYPD658 INFNRLFEGR 668 SSRKPEKLKT678 LFCYFRRVTA688 AAPTGLVTFT698 RQSLEDFPEW708 ERCEKPLTRL 718 HVTYEGTIEE728 NGQGMLQVDF738 ANRFVGGGVT748 SAGLVQEEIR758 FLINPELIIS 768 RLFTEVLDHN778 ECLIITGTEQ788 YSEYTGYAET798 YRWSRSHEDG808 SERDDWQRRC 818 TEIVAIDALH828 FRRYLDQFVP838 EKMRRELNKA848 YCGFLRPGVS858 SENLSAVATG 868 NWGCGAFGGD878 ARLKALIQIL888 AAAAAERDVV898 YFTFGDSELM908 RDIYSMHIFL 918 TERKLTVGDV928 YKLLLRYYNE938 ECRNCSTPGP948 DIKLYPFIYH958 AVESC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .70J or .70J2 or .70J3 or :370J;style chemicals stick;color identity;select .A:722 or .A:724 or .A:725 or .A:726 or .A:727 or .A:738 or .A:753 or .A:754 or .A:755 or .A:757 or .A:758 or .A:761 or .A:792 or .A:794 or .A:795 or .A:869 or .A:872 or .A:902 or .A:903; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione | Ligand Info | |||||
| Structure Description | Structure of human PARG complexed with JA2120 | PDB:6OAL | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [4] |
| PDB Sequence |
DKKWLGTPIE
459 EMRRMPRCGI469 RLPLLRPSAN479 HTVTIRVDLL489 RAGEVPKPFP499 THYKDLWDNK 509 HVKMPCSEQN519 LYAGSRWELI539 QTALLNKFTR549 PQNLKDAILK559 YNVAYSKKWD 569 FTALIDFWDK579 VLEEAEAQHL589 YQSILPDMVK599 IALLPNICTQ610 PIPLLKQKMN 620 HSITMSQEQI630 ASLLANAFFC640 TFPRRNAKMK650 SEYSSYPDIN660 FNRLFEGRSS 670 RKPEKLKTLF680 CYFRRVTEKK690 PTGLVTFTRQ700 SLEDFPEWER710 CEKPLTRLHV 720 TYEGTIEENG730 QGMLQVDFAN740 RFVGGGVTSA750 GLVQEEIRFL760 INPELIISRL 770 FTEVLDHNEC780 LIITGTEQYS790 EYTGYAETYR800 WSRSHEDGSE810 RDDWQRRCTE 820 IVAIDALHFR830 RYLDQFVPEK840 MRRELNKAYC850 GFLRPGVSSE860 NLSAVATGNW 870 GCGAFGGDAR880 LKALIQILAA890 AAAERDVVYF900 TFGDSELMRD910 IYSMHIFLTE 920 RKLTVGDVYK930 LLLRYYNEEC940 RNCGPDIKLY953 PFIYHAVE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M0P or .M0P2 or .M0P3 or :3M0P;style chemicals stick;color identity;select .A:724 or .A:725 or .A:726 or .A:727 or .A:738 or .A:753 or .A:754 or .A:757 or .A:758 or .A:792 or .A:795 or .A:867 or .A:868 or .A:869 or .A:870 or .A:871 or .A:872 or .A:873 or .A:874 or .A:900 or .A:901 or .A:902; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY724
4.573
THR725
2.356
ILE726
2.044
GLU727
2.490
PHE738
2.666
VAL753
2.108
GLN754
2.830
ILE757
3.715
ARG758
4.998
TYR792
2.618
TYR795
3.349
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one | Ligand Info | |||||
| Structure Description | Structure of human PARG complexed with JA2131 | PDB:6OAK | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [4] |
| PDB Sequence |
KKWLGTPIEE
460 MRRMPRCGIR470 LPLLRPSANH480 TVTIRVDLLR490 AGEVPKPFPT500 HYKDLWDNKH 510 VKMPCSEQNL520 YAGSRWELIQ540 TALLNKFTRP550 QNLKDAILKY560 NVAYSKKWDF 570 TALIDFWDKV580 LEEAEAQHLY590 QSILPDMVKI600 ALLPNICTQP611 IPLLKQKMNH 621 SITMSQEQIA631 SLLANAFFCT641 FPRRNAKMKS651 EYSSYPDINF661 NRLFEGRSSR 671 KPEKLKTLFC681 YFRRVTEKKP691 TGLVTFTRQS701 LEDFPEWERC711 EKPLTRLHVT 721 YEGTIEENGQ731 GMLQVDFANR741 FVGGGVTSAG751 LVQEEIRFLI761 NPELIISRLF 771 TEVLDHNECL781 IITGTEQYSE791 YTGYAETYRW801 SRSHEDGSER811 DDWQRRCTEI 821 VAIDALHFRR831 YLDQFVPEKM841 RRELNKAYCG851 FLRPGVSSEN861 LSAVATGNWG 871 CGAFGGDARL881 KALIQILAAA891 AAERDVVYFT901 FGDSELMRDI911 YSMHIFLTER 921 KLTVGDVYKL931 LLRYYNEECR941 NCGPDIKLYP954 FIYHAVE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M0M or .M0M2 or .M0M3 or :3M0M;style chemicals stick;color identity;select .A:724 or .A:725 or .A:726 or .A:727 or .A:738 or .A:753 or .A:754 or .A:757 or .A:792 or .A:795 or .A:796 or .A:867 or .A:868 or .A:869 or .A:870 or .A:871 or .A:872 or .A:873 or .A:900 or .A:901 or .A:902; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY724
4.911
THR725
2.130
ILE726
2.114
GLU727
2.701
PHE738
2.845
VAL753
2.390
GLN754
3.074
ILE757
3.700
TYR792
2.697
TYR795
3.084
ALA796
4.702
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog Biophys Mol Biol. 2021 Aug;163:171-186. | ||||
| REF 2 | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides. J Med Chem. 2018 Dec 13;61(23):10767-10792. | ||||
| REF 3 | Synthesis of dimeric ADP-ribose and its structure with human poly(ADP-ribose) glycohydrolase. J Am Chem Soc. 2015 Mar 18;137(10):3558-64. | ||||
| REF 4 | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun. 2019 Dec 11;10(1):5654. | ||||
| REF 5 | Structures of the human poly (ADP-ribose) glycohydrolase catalytic domain confirm catalytic mechanism and explain inhibition by ADP-HPD derivatives. PLoS One. 2012;7(12):e50889. | ||||
| REF 6 | (ADP-ribosyl)hydrolases: Structural Basis for Differential Substrate Recognition and Inhibition. Cell Chem Biol. 2018 Dec 20;25(12):1533-1546.e12. | ||||
| REF 7 | First-in-Class Chemical Probes against Poly(ADP-ribose) Glycohydrolase (PARG) Inhibit DNA Repair with Differential Pharmacology to Olaparib. ACS Chem Biol. 2016 Nov 18;11(11):3179-3190. | ||||
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