6U07

Computational Stabilization of T Cell Receptor Constant Domains

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Stabilized T cell receptor constant domain (Calpha)	polymer	106	12071.2	1	UniProt (Q2YD82)	Homo sapiens (Human)
2	B (B)	Stabilized T cell receptor constant domain (Cbeta)	polymer	131	14952.6	1	UniProt (K7N5M4)	Homo sapiens (Human)
3	C, D, E (A, B)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
4	F, G (A, B)	water	water		18.0	175	Chemie (HOH)

Sequence modifications

A: 118 - 213 (UniProt: Q2YD82)

PDB	External Database	Details
His 108	-	expression tag
His 109	-	expression tag
His 110	-	expression tag
His 111	-	expression tag
His 112	-	expression tag
His 113	-	expression tag
His 114	-	expression tag
His 115	-	expression tag
Gly 116	-	expression tag
Ser 117	-	expression tag
Phe 139	Ser 121	conflict
Ile 150	Thr 132	conflict
Cys 166	Thr 148	conflict
Thr 190	Ala 172	conflict

B: 117 - 246 (UniProt: K7N5M4)

PDB	External Database	Details
Lys 134	Glu 137	conflict
Arg 139	His 142	conflict
Pro 155	Asp 158	conflict
Asp 170	Ser 173	conflict
Asp 205	Asn 208	conflict
Cys 247	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	27023.8
Non-Polymers*	Number of molecules	3
	Total formula weight	72.9
All*	Total formula weight	27096.7

*Water molecules are not included.