8XR5

Crystal structure of PD-L1 complexed with small molecule inhibitor X18

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	126	14436.5	2	UniProt (Q9NZQ7) Pfam (PF07686)	Homo sapiens (human)	PD-L1,PDCD1 ligand 1,Programmed death ligand 1,hPD-L1,B7 homolog 1,B7-H1
2	C (B)	(2~{R})-2-[[2-(2,1,3-benzoxadiazol-5-ylmethoxy)-5-chloranyl-4-[[2-fluoranyl-3-[3-[3-(4-oxidanylpiperidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]methylamino]-3-oxidanyl-propanoic acid	non-polymer		735.2	1	Chemie (A1LV3)
3	D, E (A, B)	water	water		18.0	121	Chemie (HOH)

Sequence modifications

A, B: 1 - 116 (UniProt: Q9NZQ7)

PDB	External Database	Details
Ala 117	-	expression tag
Ala 118	-	expression tag
His 119	-	expression tag
His 120	-	expression tag
His 121	-	expression tag
His 122	-	expression tag
His 123	-	expression tag
His 124	-	expression tag
Ala 125	-	expression tag
Ala 126	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	28873.0
Non-Polymers*	Number of molecules	1
	Total formula weight	735.2
All*	Total formula weight	29608.2

*Water molecules are not included.