UniProt Q86W56
Poly(ADP-ribose) glycohydrolase (Q86W56)
Poly(ADP-ribose) glycohydrolase (UniProt Q86W56), EC 3.2.1.143: 49 experimental structures and 1 predicted model on GenesisL1, 18 ligands bound, 74 pockets. Binding sites, druggability and experiment against prediction (TM-score)…
- UniProt
- Q86W56
- Protein
- Poly(ADP-ribose) glycohydrolase
- EC
- 3.2.1.143
- Experimental structures
- 49
- Predicted models
- 1
- Ligands
- 18
- Pockets
- 74 · 17 records with a druggable one
Structures
50 records of Q86W56 in the MolNFT archive: 49 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4A0D | Structure of unliganded human PARG catalytic domain | x-ray diffraction | A | — | — |
| 4A0D | Structure of unliganded human parg catalytic domain | x-ray diffraction | A | — | — |
| 4B1G | Structure of unliganded human PARG catalytic domain | x-ray diffraction | A | — | — |
| 4B1G | Structure of unliganded human parg catalytic domain | x-ray diffraction | A | — | — |
| 4B1H | Structure of human PARG catalytic domain in complex with ADP-ribose | x-ray diffraction | A | — | — |
| 4B1H | Structure of human parg catalytic domain in complex with ADP-ribose | x-ray diffraction | A | — | — |
| 4B1I | Structure of human PARG catalytic domain in complex with OA-ADP-HPD | x-ray diffraction | A | — | — |
| 4B1I | Structure of human parg catalytic domain in complex with oa-ADP-hpd | x-ray diffraction | A | — | — |
| 4B1J | Structure of human PARG catalytic domain in complex with ADP-HPD | x-ray diffraction | A | — | — |
| 4B1J | Structure of human parg catalytic domain in complex with ADP-hpd | x-ray diffraction | A | — | — |
| 5A7R | Human poly(ADP-ribose) glycohydrolase in complex with synthetic dimeric ADP-ribose | x-ray diffraction | A | — | — |
| 5A7R | Human POLY(ADP-ribose) glycohydrolase in complex with synthetic dimeric ADP-ribose | x-ray diffraction | A | — | — |
| 5LHB | Polyadpribosyl glycosidase in complex with PDD00017262 | x-ray diffraction | A | 6WJ, SO4 | — |
| 5LHB | Polyadpribosyl glycosidase in complex with PDD00017262 | x-ray diffraction | A | 6WJ, SO4 | — |
| 6HH6 | Human poly(ADP-ribose) glycohydrolase in complex with ADP-HPM | x-ray diffraction | A | A3R, SO4 | — |
| 6HH6 | Human POLY(ADP-ribose) glycohydrolase in complex with ADP-hpm | x-ray diffraction | A | A3R, SO4 | — |
| 6HMK | Polyadpribosyl glycohydrolase in complex with PDD00016690 | x-ray diffraction | A | SO4, 7JC | 4 (best 0.69) |
| 6HMK | Polyadpribosyl glycohydrolase in complex with PDD00016690 | x-ray diffraction | A | SO4, 7JC | — |
| 6HML | Polyadpribosyl glycosidase in complex with PDD00017299 | x-ray diffraction | A | 73L, SO4 | 4 (best 0.61) |
| 6HML | Polyadpribosyl glycosidase in complex with PDD00017299 | x-ray diffraction | A | 73L, SO4 | — |
| 6HMM | Polyadpribosyl glycohydrolase in complex with PDD00013907 | x-ray diffraction | A | 7JB, SO4 | — |
| 6HMN | Polyadpribosyl glycosidase in complex with PDD00014909 | x-ray diffraction | A | 70J, SO4 | 6 (best 0.66) |
| 6HMN | Polyadpribosyl glycosidase in complex with PDD00014909 | x-ray diffraction | A | 70J, SO4 | — |
| 6O9X | Structure of human PARG complexed with JA2-4 | x-ray diffraction | A | M0S | 4 (best 0.66) |
| 6O9X | Structure of human parg complexed with JA2-4 | x-ray diffraction | A | M0S | — |
| 6O9Y | Structure of human PARG complexed with JA2-8 | x-ray diffraction | A | M0V | 5 (best 0.64) |
| 6O9Y | Structure of human parg complexed with JA2-8 | x-ray diffraction | A | M0V | — |
| 6OA0 | Structure of human PARG complexed with JA2-9 | x-ray diffraction | A | M1D | 5 (best 0.66) |
| 6OA0 | Structure of human parg complexed with JA2-9 | x-ray diffraction | A | M1D | — |
| 6OA1 | Structure of human PARG complexed with JA2120 | x-ray diffraction | A | M0P | 5 (best 0.67) |
| 6OA1 | Structure of human parg complexed with JA2120 | x-ray diffraction | A | M0P | — |
| 6OA3 | Structure of human PARG complexed with JA2131 | x-ray diffraction | A | M0M | 5 (best 0.67) |
| 6OA3 | Structure of human parg complexed with JA2131 | x-ray diffraction | A | M0M | — |
| 6OAK | Structure of human PARG complexed with JA2131 | x-ray diffraction | A | M0M | 4 (best 0.66) |
| 6OAK | Structure of human parg complexed with JA2131 | x-ray diffraction | A | M0M | — |
| 6OAL | Structure of human PARG complexed with JA2120 | x-ray diffraction | A | M0P | 4 (best 0.68) |
| 6OAL | Structure of human parg complexed with JA2120 | x-ray diffraction | A | M0P | — |
| 7KFP | Structure of human PARG complexed with PARG-119 | x-ray diffraction | A | WD7, SO4 | 5 (best 0.65) |
| 7KFP | Structure of human parg complexed with parg-119 | x-ray diffraction | A | WD7, SO4 | — |
| 7KG0 | Structure of human PARG complexed with PARG-131 | x-ray diffraction | A | WDA, SO4 | 4 (best 0.66) |
| 7KG0 | Structure of human parg complexed with parg-131 | x-ray diffraction | A | WDA, SO4 | — |
| 7KG1 | Structure of human PARG complexed with PARG-002 | x-ray diffraction | A | WDD, SO4 | 5 (best 0.65) |
| 7KG1 | Structure of human parg complexed with parg-002 | x-ray diffraction | A | WDD, SO4 | — |
| 7KG6 | Structure of human PARG complexed with PARG-322 | x-ray diffraction | A | WDG | 4 (best 0.66) |
| 7KG6 | Structure of human parg complexed with parg-322 | x-ray diffraction | A | WDG | — |
| 7KG7 | Structure of human PARG complexed with PARG-292 | x-ray diffraction | A | WDJ, SO4 | 3 (best 0.67) |
| 7KG7 | Structure of human parg complexed with parg-292 | x-ray diffraction | A | WDJ, SO4 | — |
| 7KG8 | Structure of human PARG complexed with PARG-061 | x-ray diffraction | A | WDM, SO4 | 3 (best 0.67) |
| 7KG8 | Structure of human parg complexed with parg-061 | x-ray diffraction | A | WDM, SO4 | — |
| Q86W56 | AlphaFold monomer V2.0 prediction for POLY(ADP-ribose) glycohydrolase (Q86W56) | predicted | A | — | 4 (best 0.77) |
Ligands
- SO4 · Sulfate ion · in 21 records
- M0M · (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl) ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one · in 4 records
- M0P · 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione · in 4 records
- 6WJ · 1-(cyclopropylmethyl)-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-2,4-dione · in 2 records
- 70J · 3-methyl-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-1-(phenylmethyl)quinazoline-2,4-dione · in 2 records
- 73L · 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione · in 2 records
- 7JC · 1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene) quinazoline-6-sulfonamide · in 2 records
- A3R · Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol · in 2 records
- M0S · 1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one · in 2 records
- M0V · 7-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione · in 2 records
- M1D · 4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid · in 2 records
- WD7 · N-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7H-purin-7-yl) ethyl]carbamoyl}methanesulfonamide · in 2 records
- WDA · 5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1H, 3H,5H)-trione · in 2 records
- WDD · 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione · in 2 records
- WDG · 1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid · in 2 records
- WDJ · 8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl) ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2, 6-dione · in 2 records
- WDM · 1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one · in 2 records
- 7JB · ~{N}-~{tert}-butyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide · in 1 record
Experiment against prediction
- 7KG7 chain A against the predicted model Q86W56: TM-score 1.00, RMSD 0.29 Å
- 7KG7 chain A against the predicted model Q86W56: TM-score 1.00, RMSD 0.29 Å
- 7KG6 chain A against the predicted model Q86W56: TM-score 1.00, RMSD 0.31 Å
- 7KG6 chain A against the predicted model Q86W56: TM-score 1.00, RMSD 0.31 Å
- 6OAK chain A against the predicted model Q86W56: TM-score 1.00, RMSD 0.32 Å
- 6OAK chain A against the predicted model Q86W56: TM-score 1.00, RMSD 0.32 Å
- 6OAL chain A against the predicted model Q86W56: TM-score 1.00, RMSD 0.32 Å
- 6OAL chain A against the predicted model Q86W56: TM-score 1.00, RMSD 0.32 Å
- 7KFP chain A against the predicted model Q86W56: TM-score 1.00, RMSD 0.32 Å
- 7KFP chain A against the predicted model Q86W56: TM-score 1.00, RMSD 0.32 Å
Elsewhere
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