9IJT

Crystal Structure of human Programmed cell death 1 ligand 1 (PD-L1) bound to Small molecule inhibitor Compound-10

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, C, D (A, B, C, D)	Programmed cell death 1 ligand 1	polymer	129	14811.9	4	UniProt (Q9NZQ7) Pfam (PF07686)	Homo sapiens (human)	PD-L1,PDCD1 ligand 1,Programmed death ligand 1,hPD-L1,B7 homolog 1,B7-H1
2	E, F (B, D)	(2~{S})-1-[[4-methoxy-2-[(2-methyl-3-phenyl-phenyl)methoxy]pyrimidin-5-yl]methyl]piperidine-2-carboxylic acid	non-polymer		447.5	2	Chemie (A1L2P) PubChem (154634585)
3	G, H, I, J (A, B, C, D)	water	water		18.0	124	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 17	-	initiating methionine
Thr 76	Val 76	conflict
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	59247.7
Non-Polymers*	Number of molecules	2
	Total formula weight	895.1
All*	Total formula weight	60142.8

*Water molecules are not included.