8FZ1
Crystal structure of human PARP1 ART domain bound to inhibitor UKTT22 (compound 14)
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Poly [ADP-ribose] polymerase 1, processed C-terminus | polymer | 271 | 30003.3 | 2 | UniProt (P09874) Pfam (PF00644) In PDB | Homo sapiens (human) | Poly [ADP-ribose] polymerase 1,89-kDa form |
2 | D, E | beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | branched | 342.3 | 2 | In PDB | |||
3 | A, B | CITRIC ACID | non-polymer | 192.1 | 3 | Chemie (CIT) | |||
4 | A, B | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 4 | Chemie (DMS) | |||
5 | A, B | (2P)-2-{3-[(2-amino-4,5-dimethylphenyl)carbamoyl]phenyl}-1H-benzimidazole-4-carboxamide | non-polymer | 399.4 | 2 | Chemie (YVB) | |||
6 | A, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 5 | Chemie (EDO) | |||
7 | water | water | 18.0 | 15 | Chemie (HOH) |
Sequence modifications
A, B: 763 - 779 (UniProt: P09874)
A, B: 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 | 2 |
Total formula weight | 60006.6 | |
Branched | Number of molecules | 2 |
Total formula weight | 684.6 | |
Non-Polymers* | Number of molecules | 14 |
Total formula weight | 1998.1 | |
All* | Total formula weight | 62689.3 |