4OQB
Structure of Human PARP-1 bound to a DNA double strand break in complex with (2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, D | Poly [ADP-ribose] polymerase 1 | polymer | 267 | 30520.1 | 2 | UniProt (P09874) Pfam (PF00645) Pfam (PF21728) Pfam (PF08063) In PDB | Homo sapiens (human) | PARP-1, ADP-ribosyltransferase diphtheria toxin-like 1, ARTD1, NAD(+) ADP-ribosyltransferase 1, ADPRT 1, Poly[ADP-ribose] synthase 1 |
2 | C, F | Poly [ADP-ribose] polymerase 1 | polymer | 505 | 57035.0 | 2 | UniProt (P09874) Pfam (PF05406) Pfam (PF02877) Pfam (PF00644) In PDB | Homo sapiens (human) | PARP-1, ADP-ribosyltransferase diphtheria toxin-like 1, ARTD1, NAD(+) ADP-ribosyltransferase 1, ADPRT 1, Poly[ADP-ribose] synthase 1 |
3 | M, N | DNA (26-MER) | polymer | 26 | 7990.1 | 2 | |||
4 | A, D | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
5 | C | (2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide | non-polymer | 394.4 | 1 | Chemie (2UT) |
Sequence modifications
A, D: 1 - 204 (UniProt: P09874)
A, D: 207 - 366 (UniProt: P09874)
C, F: 518 - 1014 (UniProt: P09874)
A, D: 207 - 366 (UniProt: P09874)
PDB | External Database | Details |
---|---|---|
Asp 205 | - | linker |
Ile 206 | - | linker |
Leu 367 | - | expression tag |
Glu 368 | - | expression tag |
His 369 | - | expression tag |
His 370 | - | expression tag |
His 371 | - | expression tag |
His 372 | - | expression tag |
His 373 | - | expression tag |
His 374 | - | expression tag |
PDB | External Database | Details |
---|---|---|
Leu 1015 | - | expression tag |
Glu 1016 | - | expression tag |
His 1017 | - | expression tag |
His 1018 | - | expression tag |
His 1019 | - | expression tag |
His 1020 | - | expression tag |
His 1021 | - | expression tag |
His 1022 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 6 |
Total formula weight | 191090.4 | |
Non-Polymers* | Number of molecules | 5 |
Total formula weight | 656.1 | |
All* | Total formula weight | 191746.5 |