3S4S

Crystal structure of CD4 mutant bound to HLA-DR1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, E (A, D)	HLA class II histocompatibility antigen, DR alpha chain	polymer	182	21145.9	2	UniProt (P01903) Pfam (PF00993) Pfam (PF07654)	Homo sapiens (human)	MHC class II antigen DRA
2	B, F (B, E)	HLA class II histocompatibility antigen, DRB1-1 beta chain	polymer	193	22456.1	2	UniProt (P04229) Pfam (PF00969) Pfam (PF07654) UniProt (by SIFTS) (P01911)	Homo sapiens (human)	MHC class II antigen DRB1*1, DR-1, DR1
3	C, G (C, F)	Hemagglutinin peptide	polymer	13	1506.8	2	UniProt (Q9YS52) UniProt (by SIFTS) (P03437)	Influenza A virus
4	D, H (G, H)	T-cell surface glycoprotein CD4	polymer	191	21260.1	2	UniProt (P01730) Pfam (PF00047) Pfam (PF05790)	Homo sapiens (human)	T-cell surface antigen T4/Leu-3
5	I, J, K (B, D, E)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
6	L, M, N, O, P... (A, B, G, D, E...)	water	water		18.0	68	Chemie (HOH)

Sequence modifications

A, D: 1 - 182 (UniProt: P01903)

PDB	External Database	Details
Gln 177	His 202	conflict

B, E: 1 - 192 (UniProt: P04229)

PDB	External Database	Details
Met 0	-	expression tag

G, H: 1 - 178 (UniProt: P01730)

PDB	External Database	Details
Asp -3	-	expression tag
Leu -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Tyr 40	Gln 65	conflict
Trp 45	Thr 70	conflict
Ala 179	-	expression tag
Ala 180	-	expression tag
Ala 181	-	expression tag
His 182	-	expression tag
His 183	-	expression tag
His 184	-	expression tag
His 185	-	expression tag
His 186	-	expression tag
His 187	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	132737.8
Non-Polymers*	Number of molecules	3
	Total formula weight	276.3
All*	Total formula weight	133014.1

*Water molecules are not included.