6V9U
Crystal structure of human TLR8 ectodomain bound to small molecule antagonist 14c
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Toll-like receptor 8 | polymer | 811 | 92835.4 | 2 | UniProt (Q9NR97) Pfam (PF13855) In PDB | Homo sapiens (Human) | |
2 | C, E, F | 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 | 3 | In PDB GlyTouCan (G22768VO) | |||
3 | D | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
4 | 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 | 1 | In PDB GlyTouCan (G15407YE) | |||
5 | 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 | 1 | In PDB GlyTouCan (G10756ZZ) | |||
6 | A, B | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 17 | Chemie (NAG) | |||
7 | B, A | 2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole | non-polymer | 378.5 | 2 | Chemie (QSM) | |||
8 | water | water | 18.0 | 40 | Chemie (HOH) |
Sequence modifications
A, B: 27 - 827 (UniProt: Q9NR97)
PDB | External Database | Details |
---|---|---|
Arg 23 | - | expression tag |
Ser 24 | - | expression tag |
Pro 25 | - | expression tag |
Trp 26 | - | expression tag |
Glu 828 | - | expression tag |
Phe 829 | - | expression tag |
Leu 830 | - | expression tag |
Val 831 | - | expression tag |
Pro 832 | - | expression tag |
Arg 833 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 185670.7 | |
Branched | Number of molecules | 6 |
Total formula weight | 4654.2 | |
Non-Polymers* | Number of molecules | 19 |
Total formula weight | 4517.6 | |
All* | Total formula weight | 194842.5 |