5N2D

Structure of PD-L1/small-molecule inhibitor complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Programmed cell death 1 ligand 1	polymer	144	16734.3	4	UniProt (Q9NZQ7) Pfam (PF07686)	Homo sapiens (Human)	Programmed death ligand 1,B7 homolog 1,B7-H1
2	E, F (B, D)	~{N}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide	non-polymer		448.6	2	Chemie (8J8)
3	G, H, I, J (A, B, C, D)	water	water		18.0	171	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 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	4
	Total formula weight	66937.0
Non-Polymers*	Number of molecules	2
	Total formula weight	897.1
All*	Total formula weight	67834.1

*Water molecules are not included.