6VKO
Crystal Structure of human PARP-1 CAT domain bound to inhibitor UKTT15
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, C, D | Poly [ADP-ribose] polymerase 1 | polymer | 372 | 41572.5 | 4 | UniProt (P09874) Pfam (PF02877) Pfam (PF00644) In PDB | Homo sapiens (Human) | PARP-1,ADP-ribosyltransferase diphtheria toxin-like 1,ARTD1,DNA ADP-ribosyltransferase PARP1,NAD(+) ADP-ribosyltransferase 1,ADPRT 1,Poly[ADP-ribose] synthase 1,Protein poly-ADP-ribosyltransferase PARP1 |
2 | A, B, C, D | methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate | non-polymer | 485.5 | 4 | Chemie (L1S) | |||
3 | A, B, C, D | SULFATE ION | non-polymer | 96.1 | 12 | Chemie (SO4) | |||
4 | water | water | 18.0 | 31 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 661 - 1011 (UniProt: P09874)
PDB | External Database | Details |
---|---|---|
Met 640 | - | initiating methionine |
Gly 641 | - | expression tag |
Ser 642 | - | expression tag |
Ser 643 | - | expression tag |
His 644 | - | expression tag |
His 645 | - | expression tag |
His 646 | - | expression tag |
His 647 | - | expression tag |
His 648 | - | expression tag |
His 649 | - | expression tag |
Ser 650 | - | expression tag |
Ser 651 | - | expression tag |
Gly 652 | - | expression tag |
Leu 653 | - | expression tag |
Val 654 | - | expression tag |
Pro 655 | - | expression tag |
Arg 656 | - | expression tag |
Gly 657 | - | expression tag |
Ser 658 | - | expression tag |
His 659 | - | expression tag |
Met 660 | - | expression tag |
Ala 762 | Val 762 | variant |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 166289.8 | |
Non-Polymers* | Number of molecules | 16 |
Total formula weight | 3094.7 | |
All* | Total formula weight | 169384.6 |