5N2F

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 (A)	Programmed cell death 1 ligand 1	polymer	126	14402.5	1	UniProt (Q9NZQ7) Pfam (PF07686)	Homo sapiens (Human)	Programmed death ligand 1,B7 homolog 1,B7-H1
2	B (B)	Programmed cell death 1 ligand 1	polymer	124	14126.2	1	UniProt (Q9NZQ7) Pfam (PF07686)	Homo sapiens (Human)	Programmed death ligand 1,B7 homolog 1,B7-H1
3	C (B)	4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid	non-polymer		497.5	1	Chemie (8HW)
4	D, E (A, B)	water	water		18.0	271	Chemie (HOH)

Sequence modifications

A: 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

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	28528.6
Non-Polymers*	Number of molecules	1
	Total formula weight	497.5
All*	Total formula weight	29026.1

*Water molecules are not included.