6ZJZ
Discovery of M5049: a novel selective TLR7/8 inhibitor for treatment of autoimmunity
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Toll-like receptor 8 | polymer | 801 | 91564.9 | 2 | UniProt (Q9NR97) Pfam (PF13855) | Homo sapiens (Human) | |
| 2 | C, E (C, E) | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1073.0 | 2 | In PDB GlyTouCan (G56014GC) | |||
| 3 | D, G (D, G) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 2 | In PDB GlyTouCan (G15407YE) | |||
| 4 | F, H (F, H) | alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 910.8 | 2 | In PDB GlyTouCan (G22768VO) | |||
| 5 | I, J, K, L, M... (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 9 | Chemie (NAG) | |||
| 6 | N, S (A, B) | 5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile | non-polymer | 320.3 | 2 | Chemie (QLH) | |||
| 7 | T (B) | FORMIC ACID | non-polymer | 46.0 | 1 | Chemie (FMT) | |||
| 8 | U, V (A, B) | water | water | 18.0 | 96 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 183129.8 | |
| Branched | Number of molecules | 6 |
| Total formula weight | 5140.7 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 2677.5 | |
| All* | Total formula weight | 190947.9 |
