UniProt P23946
Chymase (P23946)
Chymase (UniProt P23946), EC 3.4.21.39: 40 experimental structures and 1 predicted model on GenesisL1, 6 ligands bound, 5 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P23946
- Protein
- Chymase
- EC
- 3.4.21.39
- Experimental structures
- 40
- Predicted models
- 1
- Ligands
- 6
- Pockets
- 5 · 1 record with a druggable one
Structures
41 records of P23946 in the MolNFT archive: 40 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1KLT | Crystal structure of pmsf-treated human chymase at 1.9 ångströms resolution | x-ray diffraction | A | — | — |
| 1KLT | Crystal structure of pmsf-treated human chymase at 1.9 ångströms resolution | x-ray diffraction | A | — | — |
| 1NN6 | Human Pro-Chymase | x-ray diffraction | A | — | — |
| 1NN6 | Human pro-chymase | x-ray diffraction | A | — | — |
| 1PJP | The 2.2 a crystal structure of human chymase in complex with… | x-ray diffraction | A | — | — |
| 1PJP | The 2.2 a crystal structure of human chymase in complex with succinyl… | x-ray diffraction | A | — | — |
| 1T31 | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in… | x-ray diffraction | A | — | — |
| 1T31 | A dual inhibitor of the leukocyte proteases cathepsin G and chymase with therapeutic efficacy in… | x-ray diffraction | A | — | — |
| 2HVX | Discovery of Potent, Orally Active, Nonpeptide Inhibitors of Human Mast Cell Chymase by Using… | x-ray diffraction | A | — | — |
| 2HVX | Discovery of potent, orally active, nonpeptide inhibitors of human mast cell chymase by using… | x-ray diffraction | A | — | — |
| 3N7O | X-ray structure of human chymase in complex with small molecule inhibitor. | x-ray diffraction | A | — | — |
| 3N7O | X-ray structure of human chymase in complex with small molecule inhibitor. | x-ray diffraction | A | — | — |
| 3S0N | Crystal Structure of Human Chymase with Benzimidazolone Inhibitor | x-ray diffraction | A | — | — |
| 3S0N | Crystal structure of human chymase with benzimidazolone inhibitor | x-ray diffraction | A | — | — |
| 4AFQ | Human Chymase - Fynomer Complex | x-ray diffraction | A, B | — | — |
| 4AFQ | Human chymase - fynomer complex | x-ray diffraction | A, B | — | — |
| 4AFS | Human Chymase - Fynomer Complex | x-ray diffraction | A | — | — |
| 4AFS | Human chymase - fynomer complex | x-ray diffraction | A | — | — |
| 4AFU | Human Chymase - Fynomer Complex | x-ray diffraction | A, B | — | — |
| 4AFU | Human chymase - fynomer complex | x-ray diffraction | A, B | — | — |
| 4AFZ | Human Chymase - Fynomer Complex | x-ray diffraction | A, B | — | — |
| 4AFZ | Human chymase - fynomer complex | x-ray diffraction | A, B | — | — |
| 4AG1 | Human Chymase - Fynomer Complex | x-ray diffraction | A | — | — |
| 4AG1 | Human chymase - fynomer complex | x-ray diffraction | A | — | — |
| 4AG2 | Human Chymase - Fynomer Complex | x-ray diffraction | A, B | — | — |
| 4AG2 | Human chymase - fynomer complex | x-ray diffraction | A, B | — | — |
| 4K2Y | Crystal Structure of Human Chymase in Complex with Fragment Inhibitor… | x-ray diffraction | A | — | — |
| 4K2Y | Crystal structure of human chymase in complex with fragment inhibitor… | x-ray diffraction | A | — | — |
| 4K5Z | Crystal Structure of Human Chymase in Complex with Fragment Inhibitor… | x-ray diffraction | A | — | — |
| 4K5Z | Crystal structure of human chymase in complex with fragment inhibitor… | x-ray diffraction | A | — | — |
| 4K60 | Crystal Structure of Human Chymase in Complex with Fragment 6-bromo-1,3-dihydro-2H-indol-2-one | x-ray diffraction | A | — | — |
| 4K60 | Crystal structure of human chymase in complex with fragment 6-bromo-1, 3-dihydro-2H-indol-2-one | x-ray diffraction | A | — | — |
| 4K69 | Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor… | x-ray diffraction | A | — | — |
| 4K69 | Crystal structure of human chymase in complex with fragment linked benzimidazolone inhibitor… | x-ray diffraction | A | — | — |
| 4KP0 | Crystal Structure of the human Chymase with TJK002 | x-ray diffraction | A | — | — |
| 4KP0 | Crystal structure of the human chymase with TJK002 | x-ray diffraction | A | — | — |
| 9GC1 | Crystal structure of human chymase in complex with COMPOUND8 | x-ray diffraction | AAA | NAG, A1IJO, ZN | 1 (best 0.49) |
| 9GC9 | Crystal structure of human chymase in complex with COMPOUND27 | x-ray diffraction | AAA | NAG, A1IJ3, ZN | 1 (best 0.46) |
| 9GCC | Crystal structure of human chymase in complex with COMPOUND47 | x-ray diffraction | AAA | NAG, A1IJ0, ZN | 1 (best 0.49) |
| 9GCD | CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH Fulacimstat (COMPOUND86) | x-ray diffraction | AAA | NAG, A1IJ2, ZN | 2 (best 0.50) |
| P23946 | AlphaFold monomer V2.0 prediction for chymase (P23946) | predicted | A | — | — |
Ligands
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 4 records
- ZN · Zinc ion · in 4 records
- A1IJ0 · 1-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid · in 1 record
- A1IJ2 · 1-(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)-2,4-bis(oxidanylidene)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid · in 1 record
- A1IJ3 · 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)-1-[4-(2-oxidanylideneimidazolidin-1-yl)phenyl]pyrimidine-5-carboxylic acid · in 1 record
- A1IJO · 1-(4-methoxyphenyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid · in 1 record
Experiment against prediction
- 9GCD chain AAA against the predicted model P23946: TM-score 1.00, RMSD 0.36 Å
- 9GC1 chain AAA against the predicted model P23946: TM-score 1.00, RMSD 0.36 Å
- 9GCC chain AAA against the predicted model P23946: TM-score 1.00, RMSD 0.37 Å
- 9GC9 chain AAA against the predicted model P23946: TM-score 1.00, RMSD 0.38 Å
- 4K69 chain A against the predicted model P23946: TM-score 0.99, RMSD 0.42 Å
- 4K69 chain A against the predicted model P23946: TM-score 0.99, RMSD 0.42 Å
- 4K2Y chain A against the predicted model P23946: TM-score 0.99, RMSD 0.43 Å
- 4K2Y chain A against the predicted model P23946: TM-score 0.99, RMSD 0.43 Å
- 4AFZ chain B against the predicted model P23946: TM-score 0.99, RMSD 0.47 Å
- 4AFZ chain B against the predicted model P23946: TM-score 0.99, RMSD 0.47 Å
Elsewhere
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