UniProt P45452
Collagenase 3 (P45452)
Collagenase 3 (UniProt P45452), EC 3.4.24.-: 93 experimental structures and 1 predicted model on GenesisL1, 13 ligands bound, 4 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P45452
- Protein
- Collagenase 3
- EC
- 3.4.24.-
- Experimental structures
- 93
- Predicted models
- 1
- Ligands
- 13
- Pockets
- 4 · 3 records with a druggable one
Structures
94 records of P45452 in the MolNFT archive: 93 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1EUB | Solution structure of the catalytic domain of human collagenase-3 (mmp-13) complexed to a potent… | solution nmr | A | — | — |
| 1EUB | Solution structure of the catalytic domain of human collagenase-3 (mmp-13) complexed to a potent… | solution nmr | A | — | — |
| 1FLS | Solution structure of the catalytic fragment of human collagenase-3 (mmp-13) complexed with a… | solution nmr | A | — | — |
| 1FLS | Solution structure of the catalytic fragment of human collagenase-3 (mmp-13) complexed with a… | solution nmr | A | — | — |
| 1FM1 | Solution structure of the catalytic fragment of human collagenase-3 (mmp-13) complexed with a… | solution nmr | A | — | — |
| 1FM1 | Solution structure of the catalytic fragment of human collagenase-3 (mmp-13) complexed with a… | solution nmr | A | — | — |
| 1PEX | Collagenase-3 (mmp-13) C-terminal hemopexin-like domain | x-ray diffraction | A | — | — |
| 1PEX | Collagenase-3 (mmp-13) C-terminal hemopexin-like domain | x-ray diffraction | A | — | — |
| 1XUC | Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor | x-ray diffraction | A, B | — | — |
| 1XUC | Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor | x-ray diffraction | A, B | — | — |
| 1XUD | Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor | x-ray diffraction | A, B | — | — |
| 1XUD | Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor | x-ray diffraction | A, B | — | — |
| 1XUR | Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor | x-ray diffraction | A, B | — | — |
| 1XUR | Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor | x-ray diffraction | A, B | — | — |
| 1YOU | Crystal structure of the catalytic domain of MMP-13 complexed with a potent pyrimidinetrione… | x-ray diffraction | A, B | — | — |
| 1YOU | Crystal structure of the catalytic domain of mmp-13 complexed with a potent pyrimidinetrione… | x-ray diffraction | A, B | — | — |
| 1ZTQ | Crystal structure of the catalytic domain of MMP-13 complexed with WAY-033 | x-ray diffraction | A, B, C, D | — | — |
| 1ZTQ | Crystal structure of the catalytic domain of mmp-13 complexed with way-033 | x-ray diffraction | A, B, C, D | — | — |
| 2D1N | Collagenase-3 (MMP-13) complexed to a hydroxamic acid inhibitor | x-ray diffraction | A, B | — | — |
| 2D1N | Collagenase-3 (mmp-13) complexed to a hydroxamic acid inhibitor | x-ray diffraction | A, B | — | — |
| 2E2D | Flexibility and variability of TIMP binding: X-ray structure of the complex between… | x-ray diffraction | A | — | — |
| 2E2D | Flexibility and variability of timp binding: X-ray structure of the complex between… | x-ray diffraction | A | — | — |
| 2OW9 | Crystal structure analysis of the MMP13 catalytic domain in complex with specific inhibitor | x-ray diffraction | A, B | — | — |
| 2OW9 | Crystal structure analysis of the MMP13 catalytic domain in complex with specific inhibitor | x-ray diffraction | A, B | — | — |
| 2OZR | MMP13 Catalytic Domain Complexed with 4-{[1-methyl-2,4-dioxo-6-(3-phenylprop-1-yn-1-yl)-1,4-dihydroq… | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 2OZR | MMP13 catalytic domain complexed with 4-{[1-methyl-2,4-dioxo-6-(3… | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 2PJT | Crystal structure of the catalytic domain of MMP-13 complexed with WAY-344 | x-ray diffraction | A, B, C, D | — | — |
| 2PJT | Crystal structure of the catalytic domain of mmp-13 complexed with way-344 | x-ray diffraction | A, B, C, D | — | — |
| 2YIG | MMP13 in complex with a novel selective non zinc binding inhibitor | x-ray diffraction | A, B | — | — |
| 2YIG | MMP13 in complex with a novel selective non zinc binding inhibitor | x-ray diffraction | A, B | — | — |
| 3ELM | Crystal Structure of MMP-13 Complexed with Inhibitor 24f | x-ray diffraction | A, B | — | — |
| 3ELM | Crystal structure of mmp-13 complexed with inhibitor 24F | x-ray diffraction | A, B | — | — |
| 3I7G | MMP-13 in complex with a non zinc-chelating inhibitor | x-ray diffraction | A, B | — | — |
| 3I7G | Mmp-13 in complex with a non zinc-chelating inhibitor | x-ray diffraction | A, B | — | — |
| 3I7I | MMP-13 in complex with a non zinc-chelating inhibitor | x-ray diffraction | A, B | — | — |
| 3I7I | Mmp-13 in complex with a non zinc-chelating inhibitor | x-ray diffraction | A, B | — | — |
| 3KEC | Crystal Structure of Human MMP-13 complexed with a phenyl-2H-tetrazole compound | x-ray diffraction | A, B | — | — |
| 3KEC | Crystal structure of human mmp-13 complexed with a phenyl-2H-tetrazole compound | x-ray diffraction | A, B | — | — |
| 3KEJ | Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound | x-ray diffraction | A, B | — | — |
| 3KEJ | Crystal structure of human mmp-13 complexed with a (pyridin-4-yl)-2H- tetrazole compound | x-ray diffraction | A, B | — | — |
| 3KEK | Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound | x-ray diffraction | A, B | — | — |
| 3KEK | Crystal structure of human mmp-13 complexed with a (pyridin-4-yl)-2H- tetrazole compound | x-ray diffraction | A, B | — | — |
| 3KRY | Crystal structure of MMP-13 in complex with SC-78080 | x-ray diffraction | A, B, C, D | — | — |
| 3KRY | Crystal structure of mmp-13 in complex with sc-78080 | x-ray diffraction | A, B, C, D | — | — |
| 3LJZ | Crystal Structure of Human MMP-13 complexed with an Amino-2-indanol compound | x-ray diffraction | A, B, C, D | — | — |
| 3LJZ | Crystal structure of human mmp-13 complexed with an amino-2-indanol compound | x-ray diffraction | A, B, C, D | — | — |
| 3O2X | MMP-13 in complex with selective tetrazole core inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 3O2X | Mmp-13 in complex with selective tetrazole core inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 3TVC | Human MMP13 in complex with L-glutamate motif inhibitor | x-ray diffraction | A | — | — |
| 3TVC | Human MMP13 in complex with L-glutamate motif inhibitor | x-ray diffraction | A | — | — |
| 3WV1 | Crystal structure of the catalytic domain of MMP-13 complexed with… | x-ray diffraction | A, B | — | — |
| 3WV1 | Crystal structure of the catalytic domain of mmp-13 complexed with 4… | x-ray diffraction | A, B | — | — |
| 3WV2 | Crystal structure of the catalytic domain of MMP-13 complexed with… | x-ray diffraction | A, B | — | — |
| 3WV2 | Crystal structure of the catalytic domain of mmp-13 complexed with N… | x-ray diffraction | A, B | — | — |
| 3WV3 | Crystal structure of the catalytic domain of MMP-13 complexed with… | x-ray diffraction | A, B | — | — |
| 3WV3 | Crystal structure of the catalytic domain of mmp-13 complexed with N… | x-ray diffraction | A, B | — | — |
| 3ZXH | MMP-13 complexed with 2-Napthylsulfonamide hydroxamic acid inhibitor | x-ray diffraction | A, B | — | — |
| 3ZXH | Mmp-13 complexed with 2-napthylsulfonamide hydroxamic acid inhibitor | x-ray diffraction | A, B | — | — |
| 456C | Crystal structure of collagenase-3 (mmp-13) complexed to a diphenyl-ether sulphone based hydroxamic… | x-ray diffraction | A, B | — | — |
| 456C | Crystal structure of collagenase-3 (mmp-13) complexed to a diphenyl- ether sulphone based… | x-ray diffraction | A, B | — | — |
34 records more on the page itself.
Ligands
- CA · Calcium ion · in 13 records
- ZN · Zinc ion · in 13 records
- 8OA · (R)-N-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide · in 2 records
- 8OM · (S)-3-methyl-2-(4'-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-ylsulfonamido)butanoic acid · in 2 records
- 4UE · ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-carboxylate · in 1 record
- 8O7 · N-(2-aminoethyl)-4'-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-sulfonamide · in 1 record
- 8OJ · (S)-N-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide · in 1 record
- 9DY · 4-(1,2,3-thiadiazol-4-yl)pyridine · in 1 record
- NA · Sodium ion · in 1 record
- RS1 · 4-[4-(4-chloro-phenoxy)-benzenesulfonylmethyl]-tetrahydro-pyran-4-carboxylic acid hydroxyamide · in 1 record
- SO4 · Sulfate ion · in 1 record
- WMM · N-phenyl-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1,3-thiazol-2-amine · in 1 record
- WNN · 4-oxo-N-{3-[2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy]benzyl}-3,4-dihydroquinazoline-2-carboxamide · in 1 record
Experiment against prediction
- 5UWM chain B against the predicted model P45452: TM-score 0.99, RMSD 0.49 Å
- 5UWM chain A against the predicted model P45452: TM-score 0.99, RMSD 0.52 Å
- 456C chain B against the predicted model P45452: TM-score 0.99, RMSD 0.58 Å
- 1PEX chain A against the predicted model P45452: TM-score 0.98, RMSD 0.76 Å
- 1PEX chain A against the predicted model P45452: TM-score 0.98, RMSD 0.76 Å
- 456C chain A against the predicted model P45452: TM-score 0.98, RMSD 0.70 Å
- 4FVL chain A against the predicted model P45452: TM-score 0.98, RMSD 1.25 Å
- 4FU4 chain A against the predicted model P45452: TM-score 0.98, RMSD 1.30 Å
- 4G0D chain A against the predicted model P45452: TM-score 0.98, RMSD 1.32 Å
- 3KEJ chain B against the predicted model P45452: TM-score 0.98, RMSD 0.83 Å
Elsewhere
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