UniProt Q2G036
ATP-dependent Clp protease proteolytic subunit (Q2G036)
ATP-dependent Clp protease proteolytic subunit (UniProt Q2G036), EC 3.4.21.92: 24 experimental structures and 1 predicted model on GenesisL1, 8 ligands bound, 160 pockets. Binding sites, druggability and experiment against…
- UniProt
- Q2G036
- Protein
- ATP-dependent Clp protease proteolytic subunit
- EC
- 3.4.21.92
- Experimental structures
- 24
- Predicted models
- 1
- Ligands
- 8
- Pockets
- 160 · 8 records with a druggable one
Structures
25 records of Q2G036 in the MolNFT archive: 24 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3QWD | Crystal structure of ClpP from Staphylococcus aureus | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | — | — |
| 3QWD | Crystal structure of clpp from staphylococcus aureus | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | — | — |
| 3V5E | Crystal structure of ClpP from Staphylococcus aureus in the active, extended conformation | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | — | — |
| 3V5E | Crystal structure of clpp from staphylococcus aureus in the active, extended conformation | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | — | — |
| 3V5I | The crystal structure of the mutant ClpP S98A (Staphylococcus aureus) | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X, Y, Z, a, b | — | — |
| 3V5I | The crystal structure of the mutant clpp S98A (staphylococcus aureus) | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X, Y, Z, a, b | — | — |
| 4MXI | ClpP Ser98dhA | x-ray diffraction | A, B, C, D, E, F, G | — | — |
| 4MXI | Clpp SER98DHA | x-ray diffraction | A, B, C, D, E, F, G | — | — |
| 5C90 | Staphylococcus aureus ClpP mutant - Y63A | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | — | — |
| 5C90 | Staphylococcus aureus clpp mutant - Y63A | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | — | — |
| 5VZ2 | Structure of ClpP from Staphylococcus aureus in complex with Acyldepsipeptide | x-ray diffraction | A, B, C, D, E, F, G, I, K, L, M, N, S, T | — | 20 (best 0.73) |
| 5VZ2 | Structure of clpp from staphylococcus aureus in complex with acyldepsipeptide | x-ray diffraction | A, B, C, D, E, F, G, I, K, L, M, N, S, T | 9TS | — |
| 5W18 | Staphylococcus aureus ClpP in complex with (S)-N-((2R,6S,8aS,14aS,20S,23aS)-2,6-dimethyl-5,8,14,19,2… | x-ray diffraction | A, B, C, D, E, F, G, I, K, L, M, N, S, T | — | 20 (best 0.71) |
| 5W18 | Staphylococcus aureus clpp in complex with (S)-N-((2R,6S,8AS,14AS,20S… | x-ray diffraction | A, B, C, D, E, F, G, I, K, L, M, N, S, T | 9V7 | — |
| 6N80 | S. aureus ClpP bound to anti-4a | x-ray diffraction | A, B, C, D, E, F, G, I, K, L, M, N, S, T | JT7 | 20 (best 0.69) |
| 6N80 | S. aureus clpp bound to anti-4A | x-ray diffraction | A, B, C, D, E, F, G, I, K, L, M, N, S, T | JT7 | — |
| 6PKA | Structure of ClpP from Staphylococcus aureus in complex with ureadepsipeptide | x-ray diffraction | A, B, C, D, E, F, G, I, K, L, M, N, S, T | — | 20 (best 0.66) |
| 6PKA | Structure of clpp from staphylococcus aureus in complex with ureadepsipeptide | x-ray diffraction | A, B, C, D, E, F, G, I, K, L, M, N, S, T | OO1 | — |
| 6PMD | Structure of ClpP from Staphylococcus aureus in complex with Acyldepsipeptide | x-ray diffraction | A, B, C, D, E, F, G, I, K, L, M, N, S, T | — | — |
| 6PMD | Structure of clpp from staphylococcus aureus in complex with acyldepsipeptide | x-ray diffraction | A, B, C, D, E, F, G, I, K, L, M, N, S, T | SHV | — |
| 8E71 | Staphylococcus aureus ClpP in complex with compound 3471 | x-ray diffraction | A, B, C, D, E, F, G, I, K, L, M, N, S, T | USU | 20 (best 0.67) |
| 8E7P | Staphylococcus aureus ClpP in complex with compound 3421 | x-ray diffraction | A, B, C, D, E, F, G, I, K, L, M, N, S, T | UTC | 20 (best 0.65) |
| 8EF8 | Staphylococcus aureus ClpP Y63W in complex with compound 3471 | x-ray diffraction | A, B, C, D, E, F, G, I, K, L, M, N, S, T | USU | 20 (best 0.69) |
| 8R03 | Staphylococcus aureus ClpP in complex with the natural product beta-lactone inhibitor Cystargolide… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | VSZ | 20 (best 0.63) |
| Q2G036 | AlphaFold monomer V2.0 prediction for ATP-dependent clp protease proteolytic subunit (Q2G036) | predicted | A | — | — |
Ligands
- JT7 · N-[(1R)-1-borono-3-methylbutyl]-N~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-L-leucinamide · in 2 records
- USU · (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide · in 2 records
- 9TS · (2E)-pent-2-enoic acid · in 1 record
- 9V7 · Phenylcarbamic acid · in 1 record
- OO1 · (4-methylphenyl)carbamic acid · in 1 record
- SHV · Heptanoic acid · in 1 record
- UTC · (5R,6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide · in 1 record
- VSZ · Cystargolide A (bound) · in 1 record
Experiment against prediction
- 8EF8 chain N against the predicted model Q2G036: TM-score 1.00, RMSD 0.32 Å
- 6PMD chain L against the predicted model Q2G036: TM-score 1.00, RMSD 0.33 Å
- 6PMD chain L against the predicted model Q2G036: TM-score 1.00, RMSD 0.33 Å
- 6PMD chain C against the predicted model Q2G036: TM-score 1.00, RMSD 0.35 Å
- 6PMD chain C against the predicted model Q2G036: TM-score 1.00, RMSD 0.35 Å
- 5VZ2 chain K against the predicted model Q2G036: TM-score 1.00, RMSD 0.35 Å
- 5VZ2 chain K against the predicted model Q2G036: TM-score 1.00, RMSD 0.35 Å
- 8EF8 chain C against the predicted model Q2G036: TM-score 0.99, RMSD 0.36 Å
- 5W18 chain E against the predicted model Q2G036: TM-score 0.99, RMSD 0.36 Å
- 5W18 chain E against the predicted model Q2G036: TM-score 0.99, RMSD 0.36 Å
Elsewhere
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