6U3O

JR51 DQ2-p.aeru-alpha2a complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (G, A)	T-CELL RECEPTOR, JR5.1 alpha	polymer	202	22567.1	2		Homo sapiens (Human)
2	B, D (H, B)	T-CELL RECEPTOR, JR5.1 beta	polymer	244	27229.2	2		Homo sapiens (Human)
3	E, G (C, E)	MHC class II HLA-DQ-alpha chain	polymer	191	21501.8	2	UniProt (O19705) Pfam (PF00993) Pfam (PF07654)	Homo sapiens (Human)
4	F, H (D, F)	MHC class II HLA-DQ-beta-1	polymer	206	23703.5	2	UniProt (O19712) Pfam (PF00969) Pfam (PF07654)	Homo sapiens (Human)
5	I, J (I, J)	Peptide	polymer	20	2033.2	2	UniProt (by SIFTS) (Q9HX82)	Pseudomonas aeruginosa
6	K, L (K, L)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
7	M, N, O, P, Q... (G, H, A, B, C...)	water	water		18.0	66	Chemie (HOH)

Sequence modifications

C, E: -1 - 181 (UniProt: O19705)

PDB	External Database	Details
Ser 44	Cys 47	conflict
Thr 182	-	expression tag
Ser 183	-	expression tag
Gly 184	-	expression tag
Asp 185	-	expression tag
Asp 186	-	expression tag
Asp 187	-	expression tag
Asp 188	-	expression tag
Lys 189	-	expression tag

D, F: 1 - 192 (UniProt: O19712)

PDB	External Database	Details
Gly -5	-	expression tag
Gly -4	-	expression tag
Ser -3	-	expression tag
Gly -2	-	expression tag
Ala -1	-	expression tag
Ser 0	-	expression tag
Thr 193	-	expression tag
Gly 194	-	expression tag
Gly 195	-	expression tag
Asp 196	-	expression tag
Asp 197	-	expression tag
Asp 198	-	expression tag
Asp 199	-	expression tag
Lys 200	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	10
	Total formula weight	194069.5
Branched	Number of molecules	2
	Total formula weight	848.8
All*	Total formula weight	194918.3

*Water molecules are not included.