9MIN

Structure of a designed minibinder to NYESO1-A*02:01

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, F (A, F)	HLA class I antigen	polymer	278	32139.6	2	UniProt (Q53Z42) Pfam (PF00129) Pfam (PF07654)	Homo sapiens (human)	HLA class I histocompatibility antigen A alpha chain,MHC class I antigen,Major histocompatibility complex,class I,A
2	B, G (B, G)	Beta-2-microglobulin	polymer	101	11936.4	2	UniProt (P61769) Pfam (PF07654)	Homo sapiens (human)
3	C, H (C, H)	Cancer/testis antigen 1	polymer	9	1090.3	2	UniProt (P78358)	Homo sapiens	Autoimmunogenic cancer/testis antigen NY-ESO-1,Cancer/testis antigen 6.1,CT6.1,L antigen family member 2,LAGE-2
4	D, I (D, I)	designed minibinder KH46	polymer	136	15361.0	2		synthetic construct
5	E, J (E, J)	nanobody AD01	polymer	119	12762.1	2		Lama glama
6	K, L, M, N, O... (A, B, E, F, G...)	GLYCEROL	non-polymer		92.1	16	Chemie (GOL)
7	AA, BA, CA, DA, EA... (A, B, C, E, F...)	water	water		18.0	270	Chemie (HOH)

Sequence modifications

A, F: 0 - 276 (UniProt: Q53Z42)

PDB	External Database	Details
Met -1	-	initiating methionine
Gly 0	Ala 24	conflict

B, G: 1 - 99 (UniProt: P61769)

PDB	External Database	Details
Met -1	-	initiating methionine
Gly 0	-	expression tag

C, H: 1 - 9 (UniProt: P78358)

PDB	External Database	Details
Val 9	Cys 165	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	10
	Total formula weight	146578.8
Non-Polymers*	Number of molecules	16
	Total formula weight	1473.5
All*	Total formula weight	148052.3

*Water molecules are not included.