9I0U

Structure of human PD-L1 in complex with clinically evaluated inhibitor

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	131	14954.1	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, D (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
3	E (B)	(5~{S})-5-[[[5-[2-chloranyl-3-[2-chloranyl-3-[6-methoxy-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-pyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one	non-polymer		691.6	1	Chemie (A1IZJ)
4	F, G (A, B)	water	water		18.0	269	Chemie (HOH)

Sequence modifications

A, B: 18 - 134 (UniProt: Q9NZQ7)

PDB	External Database	Details
Met 15	-	initiating methionine
Gly 16	-	expression tag
Ser 17	-	expression tag
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	29908.2
Non-Polymers*	Number of molecules	3
	Total formula weight	875.8
All*	Total formula weight	30784.0

*Water molecules are not included.