3QVV

Crystal structure of Ancestral variant b9 of SULT 1A1 in complex with PAP and 3-CyC

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Sulfotransferase 1A1	polymer	295	34216.3	2	UniProt (P50225) Pfam (PF00685) In PDB	Homo sapiens (human)	ST1A1, Aryl sulfotransferase 1, HAST1/HAST2, Phenol sulfotransferase 1, Phenol-sulfating phenol sulfotransferase 1, P-PST 1, ST1A3, Thermostable phenol sulfotransferase, Ts-PST
2	A, B	ADENOSINE-3'-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (A3P)
3	A, B	7-hydroxy-2-oxo-2H-chromene-3-carbonitrile	non-polymer		187.2	2	Chemie (3QV)
4		water	water		18.0	36	Chemie (HOH)

Sequence modifications

A, B: 1 - 295 (UniProt: P50225)

PDB	External Database	Details
Gln 10	Pro 10	engineered mutation
Asn 77	Met 77	engineered mutation
Asp 151	Glu 151	engineered mutation
Cys 168	Ser 168	engineered mutation
His 213	Arg 213	variant
Met 223	Val 223	variant
Ile 243	Val 243	engineered mutation
Ile 247	Phe 247	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	68432.6
Non-Polymers*	Number of molecules	4
	Total formula weight	1228.7
All*	Total formula weight	69661.3

*Water molecules are not included.