9INU

Novel PD-L1/VISTA dual inhibitor as potential immunotherapy agents

This is a non-PDB format compatible entry.

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)	Programmed cell death 1 ligand 1	polymer	128	14678.8	2	UniProt (Q9NZQ7) Pfam (PF07686)	Homo sapiens (human)	Immune checkpoint,PD-L1,PDCD1 ligand 1,Programmed death ligand 1,hPD-L1,B7 homolog 1,B7-H1
2	C (B)	(2~{S})-2-[[6-methoxy-2-[(2-methyl-3-phenyl-phenyl)amino]pyrimidin-4-yl]methylamino]-3-oxidanyl-propanoic acid	non-polymer		408.4	1	Chemie (A1D9R)
3	D (B)	water	water		18.0	1	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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	29357.5
Non-Polymers*	Number of molecules	1
	Total formula weight	408.4
All*	Total formula weight	29766.0

*Water molecules are not included.