5JCT

Crystal Structure of Human Pirin in complex with a Chemical Probe pyrrolidine 24

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Pirin	polymer	310	34330.7	1	UniProt (O00625) Pfam (PF02678) Pfam (PF05726) In PDB	Homo sapiens (Human)	Probable quercetin 2,3-dioxygenase PIR,Probable quercetinase
2	A	FE (III) ION	non-polymer		55.8	1	Chemie (FE)
3	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	A	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
5	A	N-{5-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]-2-methylphenyl}-2-[3-(pyrrolidin-1-yl)propyl]quinoline-6-carboxamide	non-polymer		550.6	1	Chemie (6JQ)
6		water	water		18.0	324	Chemie (HOH)

Sequence modifications

A: 1 - 290 (UniProt: O00625)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -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
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34330.7
Non-Polymers*	Number of molecules	5
	Total formula weight	854.9
All*	Total formula weight	35185.6

*Water molecules are not included.