6R3K

Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor

Replaces:  5NIX

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	Programmed cell death 1 ligand 1	polymer	128	14678.8	4	UniProt (Q9NZQ7) Pfam (PF07686) In PDB	Homo sapiens (Human)	Programmed death ligand 1,B7 homolog 1,B7-H1
2	A, C	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
3	B, D	(2~{S},4~{R})-1-[[5-chloranyl-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid	non-polymer		641.1	2	Chemie (JQT)
4		water	water		18.0	248	Chemie (HOH)

Sequence modifications

A, B, C, D: 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
His 144	-	expression tag
His 145	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	58715.0
Non-Polymers*	Number of molecules	4
	Total formula weight	1406.4
All*	Total formula weight	60121.4

*Water molecules are not included.