UniProt Q9UHI8
A disintegrin and metalloproteinase with thrombospondin motifs 1 (Q9UHI8)
A disintegrin and metalloproteinase with thrombospondin motifs 1 (UniProt Q9UHI8), EC 3.4.24.-: 8 experimental structures and 1 predicted model on GenesisL1, 8 ligands bound, 28 pockets. Binding sites, druggability and experiment…
- UniProt
- Q9UHI8
- Protein
- A disintegrin and metalloproteinase with thrombospondin motifs 1
- EC
- 3.4.24.-
- Experimental structures
- 8
- Predicted models
- 1
- Ligands
- 8
- Pockets
- 28 · 8 records with a druggable one
Structures
9 records of Q9UHI8 in the MolNFT archive: 8 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2JIH | Crystal Structure of Human ADAMTS-1 catalytic Domain and Cysteine- Rich Domain (complex-form) | x-ray diffraction | A, B | 097, ZN, CD, NI, MG, NA | 3 (best 0.74) |
| 2JIH | Crystal structure of human adamts-1 catalytic domain and cysteine- rich domain (complex-form) | x-ray diffraction | A, B | 097, ZN, CD, NI, MG, NA | 3 (best 0.74) |
| 2V4B | Crystal Structure of Human ADAMTS-1 catalytic Domain and Cysteine- Rich Domain (apo-form) | x-ray diffraction | A, B | ZN, CD, NI, MG, NA | 3 (best 0.74) |
| 2V4B | Crystal structure of human adamts-1 catalytic domain and cysteine- rich domain (apo-form) | x-ray diffraction | A, B | ZN, CD, NI, MG, NA | 3 (best 0.74) |
| 3Q2G | Adamts1 in complex with a novel N-hydroxyformamide inhibitors | x-ray diffraction | A, B | QGF, ZN, CD, NI, MG, NA | 4 (best 0.74) |
| 3Q2G | ADAMTS1 in complex with a novel N-hydroxyformamide inhibitors | x-ray diffraction | A, B | QGF, ZN, CD, NI, MG, NA | 4 (best 0.74) |
| 3Q2H | Adamts1 in complex with N-hydroxyformamide inhibitors of ADAM-TS4 | x-ray diffraction | A, B | ZN, CD, NI, MG, NA, QHF | 4 (best 0.75) |
| 3Q2H | ADAMTS1 in complex with N-hydroxyformamide inhibitors of adam-TS4 | x-ray diffraction | A, B | ZN, CD, NI, MG, NA, QHF | 4 (best 0.75) |
| Q9UHI8 | AlphaFold monomer V2.0 prediction for a disintegrin and metalloproteinase with thrombospondin… | predicted | A | — | — |
Ligands
- CD · Cadmium ion · in 8 records
- MG · Magnesium ion · in 8 records
- NA · Sodium ion · in 8 records
- NI · Nickel (II) ion · in 8 records
- ZN · Zinc ion · in 8 records
- 097 · (2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide · in 2 records
- QGF · N-[(2S,4S)-1-({4-[(2,4-dichlorobenzyl)oxy]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide · in 2 records
- QHF · N-[(2S,4S)-1-({4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide · in 2 records
Experiment against prediction
- 2V4B chain A against the predicted model Q9UHI8: TM-score 0.99, RMSD 0.83 Å
- 2V4B chain A against the predicted model Q9UHI8: TM-score 0.99, RMSD 0.83 Å
- 3Q2G chain A against the predicted model Q9UHI8: TM-score 0.98, RMSD 0.91 Å
- 3Q2G chain A against the predicted model Q9UHI8: TM-score 0.98, RMSD 0.91 Å
- 2JIH chain A against the predicted model Q9UHI8: TM-score 0.98, RMSD 0.92 Å
- 2JIH chain A against the predicted model Q9UHI8: TM-score 0.98, RMSD 0.92 Å
- 2V4B chain B against the predicted model Q9UHI8: TM-score 0.98, RMSD 0.99 Å
- 2V4B chain B against the predicted model Q9UHI8: TM-score 0.98, RMSD 0.99 Å
- 3Q2G chain B against the predicted model Q9UHI8: TM-score 0.98, RMSD 1.06 Å
- 3Q2G chain B against the predicted model Q9UHI8: TM-score 0.98, RMSD 1.06 Å
Elsewhere
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