8VGU

Crystal structure of BcTSPO/Hematin 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 (A, B)	Tryptophan-rich protein TspO	polymer	181	21497.0	2	UniProt (A0A9Q5MS21)	Bacillus cereus
2	C, H (A, B)	Mesoheme	non-polymer		620.5	2	Chemie (MH0)
3	D, E, F, I, J... (A, B)	[(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate	non-polymer		356.5	8	Chemie (MPG)
4	G, N (A, B)	OXYGEN MOLECULE	non-polymer		32.0	2	Chemie (OXY)
5	O, P (A, B)	water	water		18.0	58	Chemie (HOH)

Sequence modifications

A, B: 1 - 153 (UniProt: A0A9Q5MS21)

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	12
	Total formula weight	4157.4
All*	Total formula weight	47151.3

*Water molecules are not included.