6N0J

The complex of CCG-222740 bound to pirin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Pirin	polymer	301	33433.7	1	UniProt (O00625) Pfam (PF02678) Pfam (PF05726)	Homo sapiens (Human)	Probable quercetin 2,3-dioxygenase PIR,Probable quercetinase
2	B (A)	FE (III) ION	non-polymer		55.8	1	Chemie (FE)
3	C (A)	(3S)-N-(4-chlorophenyl)-5,5-difluoro-1-[3-(furan-2-yl)benzene-1-carbonyl]piperidine-3-carboxamide	non-polymer		444.9	1	Chemie (K8S)
4	D, E (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	F (A)	water	water		18.0	274	Chemie (HOH)

Sequence modifications

A: 2 - 290 (UniProt: O00625)

PDB	External Database	Details
Met -10	-	expression tag
Arg -9	-	expression tag
Gly -8	-	expression tag
Ser -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33433.7
Non-Polymers*	Number of molecules	4
	Total formula weight	624.8
All*	Total formula weight	34058.6

*Water molecules are not included.