5IUS

Crystal structure of human PD-L1 in complex with high affinity PD-1 mutant

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 protein 1	polymer	129	14175.6	2	UniProt (Q15116) Pfam (PF07686)	Homo sapiens (Human)	hPD-1
2	C, D (C, D)	Programmed cell death 1 ligand 1	polymer	225	25770.2	2	UniProt (Q9NZQ7) Pfam (PF07686) Pfam (PF08205)	Homo sapiens (Human)	Programmed death ligand 1,B7 homolog 1,B7-H1
3	E (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	F, G, H, I (A, B, C, D)	water	water		18.0	33	Chemie (HOH)

Sequence modifications

A, B: 26 - 146 (UniProt: Q15116)

PDB	External Database	Details
Gly 22	-	expression tag
Pro 23	-	expression tag
Gly 24	-	expression tag
Ser 25	-	expression tag
His 64	Val 64	engineered mutation
Val 65	Leu 65	engineered mutation
Val 66	Asn 66	engineered mutation
His 68	Tyr 68	engineered mutation
Glu 70	Met 70	engineered mutation
Gly 74	Asn 74	engineered mutation
Thr 78	Lys 78	engineered mutation
Ala 93	Cys 93	engineered mutation
Val 122	Leu 122	engineered mutation
Val 125	Ala 125	engineered mutation
Ile 132	Ala 132	engineered mutation
Arg 147	-	expression tag
Ala 148	-	expression tag
Ala 149	-	expression tag
Ala 150	-	expression tag

C, D: 18 - 239 (UniProt: Q9NZQ7)

PDB	External Database	Details
Met 17	-	initiating methionine
Leu 240	-	expression tag
Glu 241	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	79891.8
Non-Polymers*	Number of molecules	1
	Total formula weight	35.5
All*	Total formula weight	79927.2

*Water molecules are not included.