4RYI

Crystal structure of BcTSPO/PK11195 complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Integral membrane protein	polymer	181	21497.0	2	UniProt (Q81BL7) Pfam (PF03073) In PDB	Bacillus cereus
2	A, B	N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide	non-polymer		352.9	2	Chemie (PKA)

Sequence modifications

A, B: 1 - 153 (UniProt: Q81BL7)

PDB	External Database	Details
Met -27	-	expression tag
Asp -26	-	expression tag
Tyr -25	-	expression tag
Lys -24	-	expression tag
Asp -23	-	expression tag
Asp -22	-	expression tag
Asp -21	-	expression tag
Asp -20	-	expression tag
Lys -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Tyr -1	-	expression tag
Val 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	42993.9
Non-Polymers*	Number of molecules	2
	Total formula weight	705.7
All*	Total formula weight	43699.6

*Water molecules are not included.