Research workbench
Human ADP-ribosyltransferase 7 (ARTD7/PARP15), catalytic domain in complex with STO1102
Analyse Human ADP-ribosyltransferase 7 (ARTD7/PARP15), catalytic domain in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4F0E
- Type
- protein
- Length
- 780 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Poly [ADP-ribose] polymerase 15
- EC
- 2.4.2.30
- UniProt
- Q460N3
- Ligands
- 0RU
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 21% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Poly [ADP-ribose] polymerase 15 (EC 2.4.2.30) | protein | 198 | 21% helix, 31% strand | Q460N3 |
| B | Poly [ADP-ribose] polymerase 15 (EC 2.4.2.30) | protein | 198 | 21% helix, 29% strand | Q460N3 |
| C | Poly [ADP-ribose] polymerase 15 (EC 2.4.2.30) | protein | 193 | 23% helix, 30% strand | Q460N3 |
| D | Poly [ADP-ribose] polymerase 15 (EC 2.4.2.30) | protein | 191 | 20% helix, 30% strand | Q460N3 |
Ligands and binding sites
- 0RU · 8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one · ligand · 3 copies · chains A, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 735 | 0.76 | 0.81 | 74 | empty |
| 2 | 202 | 0.61 | 0.82 | 27 | 0RU |
| 3 | 143 | 0.47 | 0.77 | 27 | 0RU |
| 4 | 61 | 0.39 | 0.80 | 12 | 0RU |
| 5 | 98 | 0.33 | 0.73 | 26 | empty |
Interfaces
5 interfaces between chains.
- A–B · 499 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 268 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 77 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 37 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 27 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4F0E · Human ADP-RIBOSYLTRANSFERASE 7 (ARTD7/PARP15), CATALYTIC DOMAIN IN COMPLEX WITH STO1102 · the same entry in another collection · chain D against D, TM-score 1.00
- Q460N3 · AlphaFold monomer V2.0 prediction for protein mono-ADP- ribosyltransferase PARP15 (Q460N3) · a predicted model of the same protein · chain D against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q460N3
- Elsewhere: RCSB PDB 4F0E · PDBe 4F0E · UniProt Q460N3
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