7M3Y
Structure of TIM-3 in complex with 8-chloro-2-methyl-9-(3-mehtylpyridin-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one (compound 22)
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | B | Hepatitis A virus cellular receptor 2 | polymer | 109 | 12298.0 | 1 | UniProt (Q8TDQ0) Pfam (PF07686) In PDB | Homo sapiens (Human) | HAVcr-2,T-cell immunoglobulin and mucin domain-containing protein 3,TIMD-3,T-cell immunoglobulin mucin receptor 3,TIM-3,T-cell membrane protein 3 |
2 | B | (4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one | non-polymer | 325.8 | 1 | Chemie (YQ7) | |||
3 | B | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
4 | water | water | 18.0 | 111 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 12298.0 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 365.8 | |
All* | Total formula weight | 12663.8 |