Target Information
| Target General Information | Top | |||||
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| Target ID |
T09395
(Former ID: TTDI02356)
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| Target Name |
Chitinase (CHIT1)
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| Synonyms |
Chitotriosidase1; Chitinase1; CHIT1
Click to Show/Hide
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| Gene Name |
CHIT1
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| Target Type |
Literature-reported target
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[1] | ||||
| Function |
Degrades chitin, chitotriose and chitobiose. May participate in the defense against nematodes and other pathogens. Isoform 3 has no enzymatic activity. {ECO:0000269|PubMed:7592832, ECO:0000269|PubMed:7836450}.
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| BioChemical Class |
Glycosylase
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| UniProt ID | ||||||
| EC Number |
EC 3.2.1.14
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| Sequence |
MVRSVAWAGFMVLLMIPWGSAAKLVCYFTNWAQYRQGEARFLPKDLDPSLCTHLIYAFAG
MTNHQLSTTEWNDETLYQEFNGLKKMNPKLKTLLAIGGWNFGTQKFTDMVATANNRQTFV NSAIRFLRKYSFDGLDLDWEYPGSQGSPAVDKERFTTLVQDLANAFQQEAQTSGKERLLL SAAVPAGQTYVDAGYEVDKIAQNLDFVNLMAYDFHGSWEKVTGHNSPLYKRQEESGAAAS LNVDAAVQQWLQKGTPASKLILGMPTYGRSFTLASSSDTRVGAPATGSGTPGPFTKEGGM LAYYEVCSWKGATKQRIQDQKVPYIFRDNQWVGFDDVESFKTKVSYLKQKGLGGAMVWAL DLDDFAGFSCNQGRYPLIQTLRQELSLPYLPSGTPELEVPKPGQPSEPEHGPSPGQDTFC QGKADGLYPNPRERSSFYSCAAGRLFQQSCPTGLVFSNSCKCCTWN Click to Show/Hide
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| 3D Structure | Click to Show 3D Structure of This Target | PDB | ||||
| Cell-based Target Expression Variations | Top | |||||
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| Cell-based Target Expression Variations | ||||||
| Drug Binding Sites of Target | Top | |||||
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| Ligand Name: 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 | Ligand Info | |||||
| Structure Description | Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 2-8-s2 | PDB:6JK6 | ||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | No | [2] |
| PDB Sequence |
AKLVCYFTNW
31 AQYRQGEARF41 LPKDLDPSLC51 THLIYAFAGM61 TNHQLSTTEW71 NDETLYQEFN 81 GLKKMNPKLK91 TLLAIGGWNF101 GTQKFTDMVA111 TANNRQTFVN121 SAIRFLRKYS 131 FDGLDLDWEY141 PGSQGSPAVD151 KERFTTLVQD161 LANAFQQEAQ171 TSGKERLLLS 181 AAVPAGQTYV191 DAGYEVDKIA201 QNLDFVNLMA211 YDFHGSWEKV221 TGHNSPLYKR 231 QEESGAAASL241 NVDAAVQQWL251 QKGTPASKLI261 LGMPTYGRSF271 TLASSSDTRV 281 GAPATGSGTP291 GPFTKEGGML301 AYYEVCSWKG311 ATKQRIQDQK321 VPYIFRDNQW 331 VGFDDVESFK341 TKVSYLKQKG351 LGGAMVWALD361 LDDFAGFSCN371 QGRYPLIQTL 381 RQEL
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| Ligand Name: 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 | Ligand Info | |||||
| Structure Description | Crystal structure of human chitotriosidase-1 (hChit1) catalytic domain in complex with compound 2-8-14 | PDB:6JJR | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [2] |
| PDB Sequence |
AKLVCYFTNW
31 AQYRQGEARF41 LPKDLDPSLC51 THLIYAFAGM61 TNHQLSTTEW71 NDETLYQEFN 81 GLKKMNPKLK91 TLLAIGGWNF101 GTQKFTDMVA111 TANNRQTFVN121 SAIRFLRKYS 131 FDGLDLDWEY141 PGSQGSPAVD151 KERFTTLVQD161 LANAFQQEAQ171 TSGKERLLLS 181 AAVPAGQTYV191 DAGYEVDKIA201 QNLDFVNLMA211 YDFHGSWEKV221 TGHNSPLYKR 231 QEESGAAASL241 NVDAAVQQWL251 QKGTPASKLI261 LGMPTYGRSF271 TLASSSDTRV 281 GAPATGSGTP291 GPFTKEGGML301 AYYEVCSWKG311 ATKQRIQDQK321 VPYIFRDNQW 331 VGFDDVESFK341 TKVSYLKQKG351 LGGAMVWALD361 LDDFAGFSCN371 QGRYPLIQTL 381 RQELSLPYLP391
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| Click to View More Binding Site Information of This Target with Different Ligands | ||||||
| Different Human System Profiles of Target | Top |
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Human Similarity Proteins
of target is determined by comparing the sequence similarity of all human proteins with the target based on BLAST. The similarity proteins for a target are defined as the proteins with E-value < 0.005 and outside the protein families of the target.
A target that has fewer human similarity proteins outside its family is commonly regarded to possess a greater capacity to avoid undesired interactions and thus increase the possibility of finding successful drugs
(Brief Bioinform, 21: 649-662, 2020).
Human Tissue Distribution
of target is determined from a proteomics study that quantified more than 12,000 genes across 32 normal human tissues. Tissue Specificity (TS) score was used to define the enrichment of target across tissues.
The distribution of targets among different tissues or organs need to be taken into consideration when assessing the target druggability, as it is generally accepted that the wider the target distribution, the greater the concern over potential adverse effects
(Nat Rev Drug Discov, 20: 64-81, 2021).
Human Pathway Affiliation
of target is determined by the life-essential pathways provided on KEGG database. The target-affiliated pathways were defined based on the following two criteria (a) the pathways of the studied target should be life-essential for both healthy individuals and patients, and (b) the studied target should occupy an upstream position in the pathways and therefore had the ability to regulate biological function.
Targets involved in a fewer pathways have greater likelihood to be successfully developed, while those associated with more human pathways increase the chance of undesirable interferences with other human processes
(Pharmacol Rev, 58: 259-279, 2006).
Human Similarity Proteins
Human Tissue Distribution
Human Pathway Affiliation
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There is no similarity protein (E value < 0.005) for this target
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Note:
If a protein has TS (tissue specficity) scores at least in one tissue >= 2.5, this protein is called tissue-enriched (including tissue-enriched-but-not-specific and tissue-specific). In the plots, the vertical lines are at thresholds 2.5 and 4.
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| KEGG Pathway | Pathway ID | Affiliated Target | Pathway Map |
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| Amino sugar and nucleotide sugar metabolism | hsa00520 | Affiliated Target |
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| Class: Metabolism => Carbohydrate metabolism | Pathway Hierarchy | ||
| Chemical Structure based Activity Landscape of Target | Top |
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| Target Poor or Non Binders | Top | |||||
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| Target Poor or Non Binders | ||||||
| References | Top | |||||
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| REF 1 | Role of chitin and chitinase/chitinase-like proteins in inflammation, tissue remodeling, and injury. Annu Rev Physiol. 2011;73:479-501. | |||||
| REF 2 | A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors. J Med Chem. 2020 Feb 13;63(3):987-1001. | |||||
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