8JBA
Discovery and Crystallography Study of Novel Oxadiazole Analogs as Small Molecule PD-1/PD-L1 inhibitors
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Programmed cell death 1 ligand 1 | polymer | 128 | 14678.8 | 2 | UniProt (Q9NZQ7) Pfam (PF07686) In PDB | Homo sapiens (human) | PD-L1,PDCD1 ligand 1,Programmed death ligand 1,hPD-L1,B7 homolog 1,B7-H1 |
2 | B | (2~{S})-2-[[3-[[5-[(2-methyl-3-phenyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylamino]-3-oxidanyl-propanoic acid | non-polymer | 505.6 | 1 | Chemie (AU9) | |||
3 | water | water | 18.0 | 11 | Chemie (HOH) |
Sequence modifications
A, B: 18 - 134 (UniProt: Q9NZQ7)
PDB | External Database | Details |
---|---|---|
Ala 135 | - | expression tag |
Ala 136 | - | expression tag |
Ala 137 | - | expression tag |
Leu 138 | - | expression tag |
Glu 139 | - | expression tag |
His 140 | - | expression tag |
His 141 | - | expression tag |
His 142 | - | expression tag |
His 143 | - | expression tag |
His 144 | - | expression tag |
His 145 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 29357.5 | |
Non-Polymers* | Number of molecules | 1 |
Total formula weight | 505.6 | |
All* | Total formula weight | 29863.1 |