6NTU
Crystal Structure of human PARP-1 ART domain bound to inhibitor UKTT-15
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Poly [ADP-ribose] polymerase 1 | polymer | 271 | 30003.3 | 1 | UniProt (P09874) Pfam (PF00644) | Homo sapiens (Human) | PARP-1,ADP-ribosyltransferase diphtheria toxin-like 1,ARTD1,NAD(+) ADP-ribosyltransferase 1,ADPRT 1,Poly[ADP-ribose] synthase 1 |
| 2 | B (B) | beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | branched | 342.3 | 1 | In PDB BIRD (PRD_900003) | sucrose | ||
| 3 | C, D (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 4 | E (A) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 1 | Chemie (1PE) | |||
| 5 | F (A) | methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate | non-polymer | 485.5 | 1 | Chemie (L1S) | |||
| 6 | G, H (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 7 | I (A) | water | water | 18.0 | 102 | Chemie (HOH) |
Sequence modifications
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 |
| Thr 763 | - | expression tag |
| Lys 764 | - | expression tag |
| Ser 765 | - | expression tag |
| Lys 766 | - | expression tag |
| Leu 767 | - | expression tag |
| Pro 768 | - | expression tag |
| Lys 769 | - | expression tag |
| Pro 770 | - | expression tag |
| Val 771 | - | expression tag |
| Gln 772 | - | expression tag |
| Asp 773 | - | expression tag |
| Leu 774 | - | expression tag |
| Ile 775 | - | expression tag |
| Lys 776 | - | expression tag |
| Met 777 | - | expression tag |
| Ile 778 | - | expression tag |
| Phe 779 | - | expression tag |
| Gly 780 | - | expression tag |
| Ser 781 | - | expression tag |
| Gly 782 | - | expression tag |
| Ser 783 | - | expression tag |
| Gly 784 | - | expression tag |
| Ser 785 | - | expression tag |
| Gly 786 | - | expression tag |
| Gly 787 | - | expression tag |
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 | 6 |
| Total formula weight | 1072.2 | |
| All* | Total formula weight | 31417.7 |
