UniProt Q13231
Chitotriosidase-1 (Q13231)
Chitotriosidase-1 (UniProt Q13231), EC 3.2.1.14: 42 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 23 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q13231
- Protein
- Chitotriosidase-1
- EC
- 3.2.1.14
- Experimental structures
- 42
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 23 · 3 records with a druggable one
Structures
43 records of Q13231 in the MolNFT archive: 42 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1GUV | Structure of human chitotriosidase | x-ray diffraction | A | — | — |
| 1GUV | Structure of human chitotriosidase | x-ray diffraction | A | — | — |
| 1HKI | Crystal structure of human chitinase in complex with glucoallosamidin B | x-ray diffraction | A | — | — |
| 1HKI | Crystal structure of human chitinase in complex with glucoallosamidin B | x-ray diffraction | A | — | — |
| 1HKJ | Crystal structure of human chitinase in complex with methylallosamidin | x-ray diffraction | A | — | — |
| 1HKJ | Crystal structure of human chitinase in complex with methylallosamidin | x-ray diffraction | A | — | — |
| 1HKK | High resoultion crystal structure of human chitinase in complex with allosamidin | x-ray diffraction | A | — | — |
| 1HKK | High resoultion crystal structure of human chitinase in complex with allosamidin | x-ray diffraction | A | — | — |
| 1HKM | High resolution crystal structure of human chitinase in complex with demethylallosamidin | x-ray diffraction | A | — | — |
| 1HKM | High resolution crystal structure of human chitinase in complex with demethylallosamidin | x-ray diffraction | A | — | — |
| 1LG2 | Crystal structure of human chitotriosidase in complex with ethylene glycol | x-ray diffraction | A | — | — |
| 1LG2 | Crystal structure of human chitotriosidase in complex with ethylene glycol | x-ray diffraction | A | — | — |
| 1LQ0 | Crystal structure of human chitotriosidase at 2.2 ångström resolution | x-ray diffraction | A | — | — |
| 1LQ0 | Crystal structure of human chitotriosidase at 2.2 ångström resolution | x-ray diffraction | A | — | — |
| 1WAW | Specificity and affinity of natural product cyclopentapeptide inhibitor Argadin against human… | x-ray diffraction | A | — | — |
| 1WAW | Specificity and affinity of natural product cyclopentapeptide inhibitor argadin against human… | x-ray diffraction | A | — | — |
| 1WB0 | specificity and affinity of natural product cyclopentapeptide inhibitor Argifin against human… | x-ray diffraction | A | — | — |
| 1WB0 | Specificity and affinity of natural product cyclopentapeptide inhibitor argifin against human… | x-ray diffraction | A | — | — |
| 4WJX | Crystal structure of human chitotriosidase-1 catalytic domain at 1.0 A resolution | x-ray diffraction | A | — | — |
| 4WJX | Crystal structure of human chitotriosidase-1 catalytic domain at 1.0 a resolution | x-ray diffraction | A | — | — |
| 4WK9 | Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (0.3mM) at… | x-ray diffraction | A | — | — |
| 4WK9 | Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (0.3MM) at… | x-ray diffraction | A | — | — |
| 4WKA | Crystal structure of human chitotriosidase-1 catalytic domain at 0.95 A resolution | x-ray diffraction | A | — | — |
| 4WKA | Crystal structure of human chitotriosidase-1 catalytic domain at 0.95 a resolution | x-ray diffraction | A | — | — |
| 4WKF | Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (2.5mM) at… | x-ray diffraction | A | — | — |
| 4WKF | Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (2.5MM) at… | x-ray diffraction | A | — | — |
| 4WKH | Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (1mM) at… | x-ray diffraction | A | — | — |
| 4WKH | Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (1MM) at… | x-ray diffraction | A | — | — |
| 5HBF | Crystal structure of human full-length chitotriosidase (CHIT1) | x-ray diffraction | A, B | — | 5 (best 0.69) |
| 5HBF | Crystal structure of human full-length chitotriosidase (CHIT1) | x-ray diffraction | A, B | — | — |
| 5NR8 | Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7a | x-ray diffraction | A | 95N | 3 (best 0.68) |
| 5NR8 | Crystal structure of human chitotriosidase-1 (hchit) catalytic domain in complex with compound 7A | x-ray diffraction | A | 95N | — |
| 5NRA | Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7g | x-ray diffraction | A | 95K | — |
| 5NRA | Crystal structure of human chitotriosidase-1 (hchit) catalytic domain in complex with compound 7G | x-ray diffraction | A | 95K | — |
| 5NRF | Crystal structure of human chitotriosidase-1 (hchit) catalytic domain in complex with compound 7I | x-ray diffraction | A | 95Q | — |
| 6JJR | Crystal structure of human chitotriosidase-1 (hChit1) catalytic domain in complex with compound… | x-ray diffraction | A | BU0 | — |
| 6JJR | Crystal structure of human chitotriosidase-1 (HCHIT1) catalytic domain in complex with compound… | x-ray diffraction | A | BU0 | — |
| 6JK6 | Crystal structure of human chitotriosidase-1 (hchit) catalytic domain in complex with compound… | x-ray diffraction | A | BV0 | — |
| 6SO0 | NMR solution structure of the family 14 carbohydrate binding module (CBM14) from human… | solution nmr | A | — | — |
| 6SO0 | NMR solution structure of the family 14 carbohydrate binding module (CBM14) from human… | solution nmr | A | — | — |
| 6ZE8 | Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound… | x-ray diffraction | A, B, C, D, E, F | QGB, NA | 15 (best 0.84) |
| 6ZE8 | Crystal structure of human chitotriosidase-1 (hchit) catalytic domain in complex with compound… | x-ray diffraction | A, B, C, D, E, F | QGB, NA | — |
| Q13231 | AlphaFold monomer V2.0 prediction for chitotriosidase-1 (Q13231) | predicted | A | — | — |
Ligands
- 95K · 1-(5-azanyl-4~{H}-1,2,4-triazol-3-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-(2-methylpropyl)piperidin-4-amine · in 2 records
- 95N · 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine · in 2 records
- BU0 · 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$L^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6, 10,12-hexaene-5-carboxamide · in 2 records
- NA · Sodium ion · in 2 records
- QGB · 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino) piperidin-1-yl)-4H-1,2,4-triazol-3-amine · in 2 records
- 95Q · 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-chlorophenyl)ethyl]-~{N}-(phenylmethyl)piperidin-4-amine · in 1 record
- BV0 · 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11, 13-hexaene-5-carboxamide · in 1 record
Experiment against prediction
- 1WAW chain A against the predicted model Q13231: TM-score 1.00, RMSD 0.31 Å
- 1WAW chain A against the predicted model Q13231: TM-score 1.00, RMSD 0.31 Å
- 1LG2 chain A against the predicted model Q13231: TM-score 1.00, RMSD 0.32 Å
- 1LG2 chain A against the predicted model Q13231: TM-score 1.00, RMSD 0.32 Å
- 1WB0 chain A against the predicted model Q13231: TM-score 1.00, RMSD 0.33 Å
- 1WB0 chain A against the predicted model Q13231: TM-score 1.00, RMSD 0.33 Å
- 4WKF chain A against the predicted model Q13231: TM-score 1.00, RMSD 0.38 Å
- 4WKF chain A against the predicted model Q13231: TM-score 1.00, RMSD 0.38 Å
- 6JK6 chain A against the predicted model Q13231: TM-score 1.00, RMSD 0.38 Å
- 4WKH chain A against the predicted model Q13231: TM-score 1.00, RMSD 0.45 Å
Elsewhere
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