8CH8
Crystal structure of the human PXR ligand-binding domain in complex with liranaftate
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Nuclear receptor subfamily 1 group I member 2 | polymer | 320 | 36747.5 | 1 | UniProt (O75469) Pfam (PF00104) In PDB | Homo sapiens (human) | Orphan nuclear receptor PAR1,Orphan nuclear receptor PXR,Pregnane X receptor,Steroid and xenobiotic receptor,SXR |
2 | A | ~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate | non-polymer | 328.4 | 1 | Chemie (ULC) | |||
3 | water | water | 18.0 | 68 | Chemie (HOH) |
Sequence modifications
A: 130 - 434 (UniProt: O75469)
PDB | External Database | Details |
---|---|---|
Met 119 | - | initiating methionine |
Lys 120 | - | expression tag |
Lys 121 | - | expression tag |
Gly 122 | - | expression tag |
His 123 | - | expression tag |
His 124 | - | expression tag |
His 125 | - | expression tag |
His 126 | - | expression tag |
His 127 | - | expression tag |
His 128 | - | expression tag |
Gly 129 | - | expression tag |
Leu 435 | - | expression tag |
Val 436 | - | expression tag |
Pro 437 | - | expression tag |
Arg 438 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 36747.5 | |
Non-Polymers* | Number of molecules | 1 |
Total formula weight | 328.4 | |
All* | Total formula weight | 37075.9 |