4GBX

Crystal structure of an immune complex at pH 6.5

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	C	HLA class II histocompatibility antigen, DM alpha chain	polymer	203	22992.9	1	UniProt (P28067) Pfam (PF00993) Pfam (PF07654) In PDB	Homo sapiens (human)	MHC class II antigen DMA, Really interesting new gene 6 protein
2	D	HLA class II histocompatibility antigen, DM beta chain	polymer	199	22233.2	1	UniProt (P28068) Pfam (PF00969) Pfam (PF07654) In PDB	Homo sapiens (human)	MHC class II antigen DMB, Really interesting new gene 7 protein
3	A	HLA class II histocompatibility antigen, DR alpha chain	polymer	191	22111.9	1	UniProt (P01903) Pfam (PF00993) Pfam (PF07654) In PDB	Homo sapiens (human)	MHC class II antigen DRA
4	B	HLA class II histocompatibility antigen, DRB1-1 beta chain	polymer	208	23735.4	1	UniProt (P04229) Pfam (PF00969) Pfam (PF07654) UniProt (by SIFTS) (P01911) In PDB	Homo sapiens (human)	MHC class II antigen DRB1*1, DR-1, DR1
5	E	synthetic peptide	polymer	10	1077.3	1		synthetic construct
6	C, A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
7		water	water		18.0	56	Chemie (HOH)

Sequence modifications

C: 1 - 199 (UniProt: P28067)

PDB	External Database	Details
Gln 136	His 162	variant
His 137	Asp 163	variant
Asp 165	Asn 191	engineered mutation
Leu 200	-	expression tag
Val 201	-	expression tag
Pro 202	-	expression tag
Arg 203	-	expression tag

D: 1 - 193 (UniProt: P28068)

PDB	External Database	Details
Ser 46	Cys 64	engineered mutation
Asp 92	Asn 110	engineered mutation
Gly 194	-	expression tag
Cys 195	-	expression tag
Leu 196	-	expression tag
Val 197	-	expression tag
Pro 198	-	expression tag
Arg 199	-	expression tag

A: 1 - 191 (UniProt: P01903)

PDB	External Database	Details
Cys 65	Val 90	engineered mutation

B: 1 - 191 (UniProt: P04229)

PDB	External Database	Details
Val -5	-	expression tag
Leu -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Pro 0	-	expression tag
Ser 30	Cys 59	engineered mutation
Ser 192	-	expression tag
Ser 193	-	expression tag
Gly 194	-	expression tag
Gly 195	-	expression tag
Gly 196	-	expression tag
Ser 197	-	expression tag
Leu 198	-	expression tag
Pro 199	-	expression tag
Ala 200	-	expression tag
Thr 201	-	expression tag
Gly 202	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	92150.7
Non-Polymers*	Number of molecules	3
	Total formula weight	663.6
All*	Total formula weight	92814.4

*Water molecules are not included.