Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | S,S-(2-Hydroxyethyl)Thiocysteine | Ligand Info | |||
| Canonical SMILES | C(CSSCC(C(=O)O)N)O | ||||
| InChI | 1S/C5H11NO3S2/c6-4(5(8)9)3-11-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1 | ||||
| InChIKey | YPUBRSXDQSFQBA-BYPYZUCNSA-N | ||||
| PubChem Compound ID | 170018 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7KG8 Structure of human PARG complexed with PARG-061 | ||||||
| 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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| PDB ID: 7KG1 Structure of human PARG complexed with PARG-002 | ||||||
| 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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| PDB ID: 7KG0 Structure of human PARG complexed with PARG-131 | ||||||
| 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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| PDB ID: 7KG7 Structure of human PARG complexed with PARG-292 | ||||||
| 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 .CME or .CME2 or .CME3 or :3CME;style chemicals stick;color identity;select .A:536 or .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:608 or .A:632; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7KFP Structure of human PARG complexed with PARG-119 | ||||||
| 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 .CME or .CME2 or .CME3 or :3CME;style chemicals stick;color identity;select .A:536 or .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:608 or .A:632; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7KG6 Structure of human PARG complexed with PARG-322 | ||||||
| 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 .CME or .CME2 or .CME3 or :3CME;style chemicals stick;color identity;select .A:536 or .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:608 or .A:632; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6OAL Structure of human PARG complexed with JA2120 | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [2] |
| 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 .CME or .CME2 or .CME3 or :3CME;style chemicals stick;color identity;select .A:536 or .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:608 or .A:632; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6OAK Structure of human PARG complexed with JA2131 | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [2] |
| 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 .CME or .CME2 or .CME3 or :3CME;style chemicals stick;color identity;select .A:536 or .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:608 or .A:632; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| 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 | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun. 2019 Dec 11;10(1):5654. | ||||
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