6I3C

Crystal structure of Human soluble catechol O-methyltransferase in complex with 3,5-dinitrocatechol and S-adensoyl-L-methionine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Catechol O-methyltransferase	polymer	232	25970.6	1	UniProt (P21964) Pfam (PF01596) In PDB	Homo sapiens (Human)
2	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
3	A	S-ADENOSYLMETHIONINE	non-polymer		398.4	1	Chemie (SAM)
4	A	3,5-DINITROCATECHOL	non-polymer		200.1	1	Chemie (DNC)
5		water	water		18.0	208	Chemie (HOH)

Sequence modifications

A: 2 - 221 (UniProt: P21964)

PDB	External Database	Details
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
Glu -4	-	expression tag
Asn -3	-	expression tag
Leu -2	-	expression tag
Tyr -1	-	expression tag
Phe 0	-	expression tag
Gln 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	25970.6
Non-Polymers*	Number of molecules	3
	Total formula weight	622.8
All*	Total formula weight	26593.5

*Water molecules are not included.