8FYY
Crystal structure of human PARP1 ART domain bound to inhibitor UKTT5 (compound 10)
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Poly [ADP-ribose] polymerase 1, processed C-terminus | polymer | 271 | 30003.3 | 1 | UniProt (P09874) Pfam (PF00644) In PDB | Homo sapiens (human) | Poly [ADP-ribose] polymerase 1,89-kDa form |
2 | B | beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | branched | 342.3 | 1 | In PDB | |||
3 | A | 2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide | non-polymer | 424.5 | 1 | Chemie (YH0) | |||
4 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
5 | A | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
6 | water | water | 18.0 | 18 | Chemie (HOH) |
Sequence modifications
A: 763 - 779 (UniProt: P09874)
A: 788 - 1012 (UniProt: P09874)
PDB | External Database | Details |
---|---|---|
Met 742 | - | initiating methionine |
Gly 743 | - | expression tag |
Ser 744 | - | expression tag |
Ser 745 | - | expression tag |
His 746 | - | expression tag |
His 747 | - | expression tag |
His 748 | - | expression tag |
His 749 | - | expression tag |
His 750 | - | expression tag |
His 751 | - | expression tag |
Ser 752 | - | expression tag |
Ser 753 | - | expression tag |
Gly 754 | - | expression tag |
Leu 755 | - | expression tag |
Val 756 | - | expression tag |
Pro 757 | - | expression tag |
Arg 758 | - | expression tag |
Gly 759 | - | expression tag |
Ser 760 | - | expression tag |
His 761 | - | expression tag |
Met 762 | - | expression tag |
PDB | External Database | Details |
---|---|---|
Gly 780 | - | linker |
Ser 781 | - | linker |
Gly 782 | - | linker |
Ser 783 | - | linker |
Gly 784 | - | linker |
Ser 785 | - | linker |
Gly 786 | - | linker |
Gly 787 | - | linker |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 30003.3 | |
Branched | Number of molecules | 1 |
Total formula weight | 342.3 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 608.7 | |
All* | Total formula weight | 30954.3 |