3S5L

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, B (A, D)	HLA class II histocompatibility antigen, DR alpha chain	polymer	182	21145.9	2	UniProt (P01903) Pfam (PF00993) Pfam (PF07654)	Homo sapiens (human)
2	C, D (B, E)	HLA class II histocompatibility antigen DR beta chain	polymer	193	22456.1	2	UniProt (D7RIG0) Pfam (PF00969) Pfam (PF07654) UniProt (by SIFTS) (P01911)	Homo sapiens (human)
3	E, F (C, F)	HA peptide	polymer	13	1506.8	2	UniProt (by SIFTS) (P03437)	Homo Sapiens
4	G, H (G, H)	T-cell surface glycoprotein CD4	polymer	191	21372.3	2	UniProt (P01730) Pfam (PF00047) Pfam (PF05790)	Homo sapiens (human)
5	I, J, K, L, M... (A, D, B, E, G...)	GLYCEROL	non-polymer		92.1	10	Chemie (GOL)
6	S, T, U, V, W... (A, D, B, E, C...)	water	water		18.0	268	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Gln 177	His 202	conflict

B, E: 1 - 192 (UniProt: D7RIG0)

PDB	External Database	Details
Met 0	-	initiating methionine

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	engineered mutation
Trp 45	Thr 70	engineered mutation
Arg 60	Ser 85	engineered mutation
Arg 63	Asp 88	engineered mutation
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	132962.2
Non-Polymers*	Number of molecules	10
	Total formula weight	920.9
All*	Total formula weight	133883.2

*Water molecules are not included.