Target Binding Site Detail
Target General Information | Top | ||||
---|---|---|---|---|---|
Target ID | T40812 | Target Info | |||
Target Name | Poly [ADP-ribose] polymerase 2 (PARP2) | ||||
Synonyms | pADPRT-2; hPARP-2; Protein poly-ADP-ribosyltransferase PARP2; Poly[ADP-ribose] synthase 2; PARP-2; NAD(+) ADP-ribosyltransferase 2; DNA ADP-ribosyltransferase PARP2; ARTD2; ADPRTL2; ADPRT2; ADPRT-2; ADP-ribosyltransferase diphtheria toxin-like 2 | ||||
Target Type | Clinical trial Target | ||||
Gene Name | PARP2 | ||||
Biochemical Class | Glycosyltransferases | ||||
UniProt ID |
Ligand General Information | Top | ||||
---|---|---|---|---|---|
Ligand Name | EB-47 | Ligand Info | |||
Canonical SMILES | C1CN(CCN1CC(=O)NC2=CC=CC3=C2CNC3=O)C(=O)C4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O | ||||
InChI | 1S/C24H27N9O6/c25-20-16-21(28-10-27-20)33(11-29-16)24-18(36)17(35)19(39-24)23(38)32-6-4-31(5-7-32)9-15(34)30-14-3-1-2-12-13(14)8-26-22(12)37/h1-3,10-11,17-19,24,35-36H,4-9H2,(H,26,37)(H,30,34)(H2,25,27,28)/t17-,18+,19-,24+/m0/s1 | ||||
InChIKey | DDFLFKTXUWPNMV-UAKAABGRSA-N | ||||
PubChem Compound ID | 9871899 |
Drug Binding Sites of Target | Top | |||||
---|---|---|---|---|---|---|
PDB ID: 5DSY Crystal structure of constitutively active PARP-2 | ||||||
Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [1] |
PDB Sequence |
PESQLDLRVQ
226 ELIKLICNQS340 PEHPLDQHYR350 NLHCALRPLD360 HESYEFKVIS370 QYLQSTHAPT 380 HSDYTMTLLD390 LFEVEKDGEK400 EAFREDLHNR410 MLLWHGSRMS420 NWVGILSHGL 430 RIAPPEAPIT440 GYMFGKGIYF450 ADMSSKSANY460 CFASRLKNTG470 LLLLSEVALG 480 QCNELLEANP490 KAEGLLQGKH500 STKGLGKMAP510 SSAHFVTLNG520 STVPLGPASD 530 TGILNPDGYT540 LNYNEYIVYN550 PNQVRMRYLL560 KVQFNFLQ
|
|||||
|
TRP414
3.571
HIS415
2.875
GLY416
2.877
SER417
2.532
ASN421
3.531
GLY424
3.204
ILE425
3.521
HIS428
4.225
GLY429
2.950
LEU430
3.762
ARG431
3.050
|
|||||
PDB ID: 6TX3 HPF1 bound to catalytic fragment of PARP2 | ||||||
Method | X-ray diffraction | Resolution | 2.96 Å | Mutation | Yes | [2] |
PDB Sequence |
PESQLDLRVQ
226 ELIKLICNSP341 EHPLDQHYRN351 LHCALRPLDH361 ESYEFKVISQ371 YLQSTHAPTH 381 SDYTMTLLDL391 FEVEKDGEKE401 AFREDLHNRM411 LLWHGSRMSN421 WVGILSHGLR 431 IAPPEAPITG441 YMFGKGIYFA451 DMSSKSANYC461 FASRLKNTGL471 LLLSEVALGQ 481 CNELLEANPK491 AEGLLQGKHS501 TKGLGKMAPS511 SAHFVTLNGS521 TVPLGPASDT 531 GILNPDGYTL541 NYNEYIVYNP551 NQVRMRYLLK561 VQFNFLQLW
|
|||||
|
TRP414
4.180
HIS415
3.016
GLY416
2.653
SER417
2.669
ASN421
3.300
GLY424
3.090
ILE425
3.219
HIS428
4.209
GLY429
3.295
LEU430
4.130
ARG431
3.002
|
References | Top | ||||
---|---|---|---|---|---|
REF 1 | PARP-1 Activation Requires Local Unfolding of an Autoinhibitory Domain. Mol Cell. 2015 Dec 3;60(5):755-768. | ||||
REF 2 | HPF1 completes the PARP active site for DNA damage-induced ADP-ribosylation. Nature. 2020 Mar;579(7800):598-602. |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.