UniProt Q16740
ATP-dependent Clp protease proteolytic subunit, mitochondrial (Q16740)
ATP-dependent Clp protease proteolytic subunit, mitochondrial (UniProt Q16740), EC 3.4.21.92: 22 experimental structures and 1 predicted model on GenesisL1, 20 ligands bound, 316 pockets. Binding sites, druggability and…
- UniProt
- Q16740
- Protein
- ATP-dependent Clp protease proteolytic subunit, mitochondrial
- EC
- 3.4.21.92
- Experimental structures
- 22
- Predicted models
- 1
- Ligands
- 20
- Pockets
- 316 · 16 records with a druggable one
Structures
23 records of Q16740 in the MolNFT archive: 22 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1TG6 | Crystallography and mutagenesis point to an essential role for the N-terminus of human… | x-ray diffraction | A, B, C, D, E, F, G | FME | 20 (best 0.77) |
| 1TG6 | Crystallography and mutagenesis point to an essential role for the N- terminus of human… | x-ray diffraction | A, B, C, D, E, F, G | — | — |
| 6BBA | Crystal structure of human mitochondrial ClpP complex with acyldepsipeptide ADEP-28 | x-ray diffraction | A, B, C, D, E, F, G | — | 19 (best 0.77) |
| 6BBA | Crystal structure of human mitochondrial clpp complex with acyldepsipeptide adep-28 | x-ray diffraction | A, B, C, D, E, F, G | SHV, 3A0 | — |
| 6DL7 | Human mitochondrial ClpP in complex with ONC201 (TIC10) | x-ray diffraction | A, B, C, D, E, F, G | ONC | — |
| 6DL7 | Human mitochondrial clpp in complex with ONC201 (TIC10) | x-ray diffraction | A, B, C, D, E, F, G | ONC | — |
| 6H23 | Crystal structure of the hClpP Y118A mutant with an activating small molecule | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | FJT | 20 (best 0.68) |
| 6H23 | Crystal structure of the hclpp Y118A mutant with an activating small molecule | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | FJT | — |
| 7UVM | Crystal structure of human ClpP protease in complex with TR-27 | x-ray diffraction | A, B, C, D, E, F, G | OX0 | 20 (best 0.69) |
| 7UVN | Crystal structure of human ClpP protease in complex with TR-57 | x-ray diffraction | A, B, C, D, E, F, G | P3O | 20 (best 0.66) |
| 7UVR | Crystal structure of human ClpP protease in complex with TR-65 | x-ray diffraction | A, B, C, D, E, F, G | PJF | 20 (best 0.69) |
| 7UVU | Crystal structure of human ClpP protease in complex with TR-107 | x-ray diffraction | A, B, C, D, E, F, G | OY9 | 19 (best 0.67) |
| 7UW0 | Crystal structure of human ClpP protease in complex with TR-133 | x-ray diffraction | A, B, C, D, E, F, G | P4I | 20 (best 0.67) |
| 7VP9 | Crystal structure of human ClpP in complex with ZG111 | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | 7SR, MG | 20 (best 0.71) |
| 7VP9 | Crystal structure of human clpp in complex with ZG111 | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | 7SR, MG | — |
| 7WH5 | Crystal structure of human ClpP in complex with ZG180 | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | 9DF, MG | 20 (best 0.73) |
| 8HGK | Crystal structure of human ClpP in complex with ZK53 | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | ZLL, MG | 20 (best 0.69) |
| 8I7X | Crystal structure of human ClpP in complex with ZG36 | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | OSR | 20 (best 0.67) |
| 8W7C | Activation of mitochondrial Caseinolytic Protease P (ClpP) induces selective cancer cell lethality | x-ray diffraction | A, B, C, D, E, F, G | R89 | 19 (best 0.67) |
| 8W7E | Design, synthesis and biological evaluations of novel small molecular hyper-activators of human… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | 9I3 | 20 (best 0.71) |
| 8WUZ | Development of 2-imino-2,3,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-4(1H)-one derivatives as human… | x-ray diffraction | A, B, C, D, E, F, G | XFU, BR | 19 (best 0.66) |
| 8YLB | Cocrystal structures of agonists compound 1 with HsClpP | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | A1LZA | 20 (best 0.59) |
| Q16740 | AlphaFold monomer V2.0 prediction for ATP-dependent clp protease proteolytic subunit, mitochondrial… | predicted | A | — | — |
Ligands
- MG · Magnesium ion · in 4 records
- 7SR · (6s,9as)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6, 9,9A-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide · in 2 records
- FJT · ~{N}-(1,3-benzodioxol-5-ylmethyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,3,4-oxadiazole-2-carboxamide · in 2 records
- ONC · 7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one · in 2 records
- 3A0 · (2S,4S)-4-methylpiperidine-2-carboxylic acid · in 1 record
- 9DF · (6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide · in 1 record
- 9I3 · 3-[(3-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-c][2,7]naphthyridin-5-one · in 1 record
- A1LZA · 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one · in 1 record
- BR · Bromide ion · in 1 record
- FME · N-formylmethionine · in 1 record
- OSR · (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide · in 1 record
- OX0 · (10R)-4-[(4-chlorophenyl)methyl]-7-[(3-ethynylphenyl)methyl]-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one · in 1 record
- OY9 · 3-({3-[(4-chlorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile · in 1 record
- P3O · 3-({3-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-6(2H)-yl}methyl)benzonitrile · in 1 record
- P4I · 3-({3-[(4-bromophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile · in 1 record
- PJF · 3-{[(10R)-4-[(4-chlorophenyl)methyl]-5-oxo-1,2,4,5,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]methyl}benzonitrile · in 1 record
- R89 · 11-[(3-chlorophenyl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5-trien-8-one · in 1 record
- SHV · Heptanoic acid · in 1 record
- XFU · 5-[(3-fluorophenyl)methyl]-9-[[4-(trifluoromethyl)phenyl]methyl]-1,5,9,11-tetrazatricyclo[8.4.0.0^{2,7}]tetradeca-2(7),10-dien-8-one · in 1 record
- ZLL · 4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide · in 1 record
Experiment against prediction
- 1TG6 chain C against the predicted model Q16740: TM-score 0.99, RMSD 0.51 Å
- 1TG6 chain C against the predicted model Q16740: TM-score 0.99, RMSD 0.51 Å
- 1TG6 chain A against the predicted model Q16740: TM-score 0.99, RMSD 0.53 Å
- 1TG6 chain A against the predicted model Q16740: TM-score 0.99, RMSD 0.53 Å
- 8WUZ chain E against the predicted model Q16740: TM-score 0.99, RMSD 0.50 Å
- 1TG6 chain G against the predicted model Q16740: TM-score 0.99, RMSD 0.55 Å
- 1TG6 chain G against the predicted model Q16740: TM-score 0.99, RMSD 0.55 Å
- 8WUZ chain B against the predicted model Q16740: TM-score 0.99, RMSD 0.54 Å
- 8WUZ chain F against the predicted model Q16740: TM-score 0.99, RMSD 0.55 Å
- 1TG6 chain B against the predicted model Q16740: TM-score 0.99, RMSD 0.58 Å
Elsewhere
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