7VUN

Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B, A, C, D, E...	Programmed cell death 1 ligand 1	polymer	126	14402.5	8	UniProt (Q9NZQ7) Pfam (PF07686) In PDB	Homo sapiens (human)	hPD-L1,B7 homolog 1,B7-H1
2	C, D, F, H	(2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid	non-polymer		575.6	4	Chemie (8H7)
3		water	water		18.0	44	Chemie (HOH)

Sequence modifications

B, A, C, D, E, F, G, H: 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

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	115219.7
Non-Polymers*	Number of molecules	4
	Total formula weight	2302.4
All*	Total formula weight	117522.2

*Water molecules are not included.