8RAL

CL3E peptide bound to the I-Ab murine MHC class II receptor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	H-2 class II histocompatibility antigen, A-B alpha chain	polymer	195	22030.5	1	UniProt (P14434) Pfam (PF00993) Pfam (PF07654)	Mus musculus (house mouse)
2	B (B)	H-2 class II histocompatibility antigen, A beta chain	polymer	224	25683.4	1	UniProt (P14483) Pfam (PF00969) Pfam (PF07654)	Mus musculus (house mouse)
3	C (C)	CL3E peptide	polymer	13	1361.6	1		synthetic construct
4	D (D)	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1	In PDB GlyTouCan (G75436UI)
5	E, F (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6	G, H, I (A, B, C)	water	water		18.0	128	Chemie (HOH)

Sequence modifications

A: -1 - 193 (UniProt: P14434)

PDB	External Database	Details
Cys 74	Val 99	engineered mutation

B: 1 - 199 (UniProt: P14483)

PDB	External Database	Details
Gly -24	-	expression tag
Leu -23	-	expression tag
Tyr -22	-	expression tag
Leu -21	-	expression tag
Glu -20	-	expression tag
Ala -19	-	expression tag
Val -18	-	expression tag
Pro -17	-	expression tag
Leu -16	-	expression tag
Gln -15	-	expression tag
Val -14	-	expression tag
Gly -13	-	expression tag
Cys -12	-	expression tag
Gly -11	-	expression tag
Gly -10	-	expression tag
Gly -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Gly -6	-	expression tag
Ser -5	-	expression tag
Gly -4	-	expression tag
Gly -3	-	expression tag
Gly -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	49075.5
Branched	Number of molecules	1
	Total formula weight	910.8
Non-Polymers*	Number of molecules	2
	Total formula weight	124.1
All*	Total formula weight	50110.4

*Water molecules are not included.