Brand  (β version)

PDB ID: 1WOK

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Ligands
Code Name Style Show Link
CNQ 3-(4-chlorophenyl)quinoxaline-5-carboxamide PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 1WOK   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Crystal structure of catalytic domain of human poly(ADP-ribose) polymerase complexed with a quinoxaline-type inhibitor
Release Data : 2005-03-15
Compound :
mol_id molecule chains synonym
1 Poly [ADP-ribose] polymerase-1 A,B,C,D PARP-1, ADPRT, NAD+, ADP-ribosyltransferase-1, Poly[ADP-ribose] synthetase-1
ec: 2.4.2.30
fragment: Catalytic Domain
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: PPOL
expression_system_vector_type: PLASMID
expression_system_plasmid: PGEX4T-2
Authors : Iwashita, A., Hattori, K., Yamamoto, H., Ishida, J., Kido, Y., Kamijo, K., Murano, K., Miyake, H., Kinoshita, T., Warizaya, M., Ohkubo, M., Matsuoka, N., Mutoh, S.
Keywords : PROTEIN-INHIBITOR COMPLEX, TRANSFERASE
Exp. method : X-RAY DIFFRACTION ( 3.00 Å )
Citation :

Discovery of quinazolinone and quinoxaline derivatives as potent and selective poly(ADP-ribose) polymerase-1/2 inhibitors.

Iwashita, A.,Hattori, K.,Yamamoto, H.  et al.
(2005)  Febs Lett.  579 : 1389 - 1393

PubMed: 15733846
DOI: 10.1016/j.febslet.2005.01.036

Reaction

Chain : A, B, C, D
UniProt : P09874 (PARP1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
NAD(+) + (ADP-D-ribosyl)n-acceptor = nicotinamide + (ADP-D- ribosyl)n+1-acceptor + H(+). 2.4.2.30 PubMed:18172500, PubMed:19764761, PubMed:25043379, PubMed:26344098, PubMed:28190768, PubMed:32358582, PubMed:33683197, PubMed:7852410
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L-seryl-[protein] + NAD(+) = H(+) + nicotinamide + O-(ADP-D- ribosyl)-L-seryl-[protein] - PubMed:27067600, PubMed:27256882, PubMed:32028527, PubMed:33186521, PubMed:33683197, PubMed:34210965, PubMed:34625544, PubMed:29954836
left-to-right PubMed:27067600, PubMed:27256882, PubMed:32028527, PubMed:33186521, PubMed:33683197, PubMed:34210965, PubMed:34625544, PubMed:29954836
L-aspartyl-[protein] + NAD(+) = 4-O-(ADP-D-ribosyl)-L- aspartyl-[protein] + nicotinamide - PubMed:19764761, PubMed:25043379, PubMed:35460603
left-to-right
L-glutamyl-[protein] + NAD(+) = 5-O-(ADP-D-ribosyl)-L- glutamyl-[protein] + nicotinamide - PubMed:19764761, PubMed:25043379, PubMed:27256882
left-to-right
L-tyrosyl-[protein] + NAD(+) = H(+) + nicotinamide + O-(ADP-D- ribosyl)-L-tyrosyl-[protein] - PubMed:29954836, PubMed:30257210
left-to-right PubMed:29954836, PubMed:30257210
L-histidyl-[protein] + NAD(+) = H(+) + N(tele)-(ADP-D- ribosyl)-L-histidyl-[protein] + nicotinamide - PubMed:35393539
left-to-right