8R6Q

Co-crystal structure of PD-L1 with low molecular weight inhibitor

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)	hPD-L1,B7 homolog 1,B7-H1
2	A	(3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide	non-polymer		523.0	1	Chemie (WEW)
3	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	A, B	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
5		water	water		18.0	46	Chemie (HOH)

Sequence modifications

A, B: 17 - 133 (UniProt: Q9NZQ7)

PDB	External Database	Details
Ala 134	-	expression tag
Ala 135	-	expression tag
Ala 136	-	expression tag
Leu 137	-	expression tag
Glu 138	-	expression tag
His 139	-	expression tag
His 140	-	expression tag
His 141	-	expression tag
His 142	-	expression tag
His 143	-	expression tag
His 144	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	29357.5
Non-Polymers*	Number of molecules	5
	Total formula weight	786.1
All*	Total formula weight	30143.6

*Water molecules are not included.