9HRT

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 (B)	(2~{R})-2-[[3-[(~{E})-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]ethenyl]-4-(trifluoromethyl)phenyl]methylamino]-2-methyl-3-oxidanyl-propanoic acid	non-polymer		527.5	1	Chemie (A1IXH) PubChem (138632287)
3	D, E (A, B)	water	water		18.0	38	Chemie (HOH)

Sequence modifications

A, B: 4 - 120 (UniProt: Q9NZQ7)

PDB	External Database	Details
Met 1	-	initiating methionine
Gly 2	-	expression tag
Ser 3	-	expression tag
Ala 121	-	expression tag
Ala 122	-	expression tag
Ala 123	-	expression tag
Leu 124	-	expression tag
Glu 125	-	expression tag
His 126	-	expression tag
His 127	-	expression tag
His 128	-	expression tag
His 129	-	expression tag
His 130	-	expression tag
His 131	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	29908.2
Non-Polymers*	Number of molecules	1
	Total formula weight	527.5
All*	Total formula weight	30435.7

*Water molecules are not included.