7T2B

Crystal structure of the 5F TCR in complex with HLA-DP4-Ply

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D, G, J (A, F, K, P)	HLA class II histocompatibility antigen, DP alpha 1 chain	polymer	181	20943.3	4	UniProt (P20036) Pfam (PF00993) Pfam (PF07654)	Homo sapiens (human)	DP(W3),DP(W4),HLA-SB alpha chain,MHC class II DP3-alpha,MHC class II DPA1
2	B, E, H, K (B, G, L, Q)	HLA class II histocompatibility antigen, DP beta 1 chain	polymer	190	22074.7	4	UniProt (P04440) Pfam (PF00969) Pfam (PF07654)	Homo sapiens (human)	HLA class II histocompatibility antigen,DP(W4) beta chain,MHC class II antigen DPB1
3	C, F, I, L (C, H, M, R)	Pneumolysin-derived peptide	polymer	15	1826.0	4	UniProt (Q04IN8)	Streptococcus pneumoniae
4	M, O, Q, S (D, I, N, S)	T cell receptor, 5F, alpha chain	polymer	207	22814.2	4	UniProt (P01848) Pfam (PF09291)	Homo sapiens
5	N, P, R, T (E, J, O, T)	T cell receptor, 5F, beta chain	polymer	241	27021.2	4	UniProt (P01850) Pfam (PF07654)	Homo sapiens
6	U, V, W (U, V, W)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	3	In PDB GlyTouCan (G42666HT)
7	BA, DA, EA, FA, GA... (F, G, K, P, Q...)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	8	Chemie (NAG)
8	AA, CA, HA, JA, KA... (B, F, P, E, J...)	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
9	OA, PA, QA, RA, SA... (A, F, G, P, Q...)	water	water		18.0	10	Chemie (HOH)

Sequence modifications

B, G, L, Q: 1 - 190 (UniProt: P04440)

PDB	External Database	Details
Ala -1	-	expression tag
Ser 0	-	expression tag

C, H, M, R: -1 - 11 (UniProt: Q04IN8)

PDB	External Database	Details
Gly -3	-	cloning artifact
Ala -2	-	cloning artifact

D, I, N, S: 1 - 129 (PDB: 7T2B)
D, I, N, S: 130 - 222 (UniProt: P01848)

PDB	External Database	Details
Cys 176	Thr 47	engineered mutation

E, J, O, T: 1 - 128 (PDB: 7T2B)
E, J, O, T: 129 - 257 (UniProt: P01850)

PDB	External Database	Details
Cys 184	Ser 56	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	20
	Total formula weight	378717.7
Branched	Number of molecules	3
	Total formula weight	1273.2
Non-Polymers*	Number of molecules	17
	Total formula weight	2328.3
All*	Total formula weight	382319.2

*Water molecules are not included.