6VQN

Co-crystal structure of human PD-L1 complexed with Compound A

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	Programmed cell death 1 ligand 1	polymer	129	14810.0	3	UniProt (Q9NZQ7) Pfam (PF07686) In PDB	Homo sapiens (Human)	hPD-L1,B7 homolog 1,B7-H1
2	B, C	N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide)	non-polymer		568.7	2	Chemie (R81)
3		water	water		18.0	139	Chemie (HOH)

Sequence modifications

A, B, C: 18 - 134 (UniProt: Q9NZQ7)

PDB	External Database	Details
Met 17	-	initiating methionine
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	3
	Total formula weight	44429.9
Non-Polymers*	Number of molecules	2
	Total formula weight	1137.3
All*	Total formula weight	45567.2

*Water molecules are not included.