8VSJ

Engineered peptide-specific binder in complex with HLA-DR1/CLIP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	HLA class II histocompatibility antigen, DR alpha chain	polymer	184	21400.2	1	UniProt (P01903) Pfam (PF00993) Pfam (PF07654) In PDB	Homo sapiens (human)	MHC class II antigen DRA
2	B	HLA class II histocompatibility antigen DR beta chain	polymer	192	22324.9	1	UniProt (D7RIG0) Pfam (PF00969) Pfam (PF07654) In PDB	Homo sapiens (human)	HLA-DRB1 protein,MHC class II antigen
3	C	Superantigen	polymer	129	15544.8	1	UniProt (Q48898) Pfam (PF09245) In PDB	Metamycoplasma arthritidis
4	H	c44H10 Fab heavy chain	polymer	223	23668.6	1		Homo sapiens
5	L	c44H10 Fab light chain	polymer	214	23505.1	1		Homo sapiens
6	P	Class-II-associated invariant chain peptide	polymer	15	1676.1	1	UniProt (P04233) In PDB	Homo sapiens (human)	CLIP
7	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)

Sequence modifications

A: -1 - 180 (UniProt: P01903)

PDB	External Database	Details
Ser 181	-	expression tag
Arg 182	-	expression tag

B: 180 - 369 (UniProt: D7RIG0)

PDB	External Database	Details
Ser 370	-	expression tag
Arg 371	-	expression tag

C: 1 - 120 (UniProt: Q48898)

PDB	External Database	Details
Cys 5	Val 30	engineered mutation
Ser 12	Gln 37	engineered mutation
Ile 13	Lys 38	engineered mutation
Tyr 14	His 39	engineered mutation
Leu 15	Phe 40	engineered mutation
Ala 16	Val 41	engineered mutation
Asp 34	Asn 59	engineered mutation
Lys 47	Leu 72	engineered mutation
Glu 50	Leu 75	engineered mutation
Asp 61	Gly 86	engineered mutation
Ile 63	Val 88	engineered mutation
Lys 65	Asp 90	engineered mutation
Gly 67	Asn 92	engineered mutation
Asp 68	Gly 93	engineered mutation
-	Leu 94	deletion
-	Leu 95	deletion
-	Glu 96	deletion
-	Tyr 97	deletion
Val 71	Ile 100	engineered mutation
Ile 85	Thr 114	engineered mutation
Thr 102	Ile 131	engineered mutation
Cys 115	Ser 144	engineered mutation
Trp 121	-	expression tag
Leu 122	-	expression tag
Glu 123	-	expression tag
His 124	-	expression tag
His 125	-	expression tag
His 126	-	expression tag
His 127	-	expression tag
His 128	-	expression tag
His 129	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	108119.8
Non-Polymers*	Number of molecules	3
	Total formula weight	663.6
All*	Total formula weight	108783.4

*Water molecules are not included.