6OJH

Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with (R)-7-(3-aminopyrrolidin-1-yl)-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Biotin carboxylase	polymer	468	51346.6	1	UniProt (P43873) Pfam (PF00289) Pfam (PF02786) Pfam (PF02785) In PDB	Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)	Acetyl-CoA carboxylase subunit A,ACC
2	A	7-[(3R)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine	non-polymer		356.4	1	Chemie (MV4)
3	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
4	A	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
5		water	water		18.0	171	Chemie (HOH)

Sequence modifications

A: 1 - 448 (UniProt: P43873)

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	51346.6
Non-Polymers*	Number of molecules	3
	Total formula weight	455.5
All*	Total formula weight	51802.1

*Water molecules are not included.