6OI9

Crystal Structure of E. coli Biotin Carboxylase Complexed with 7-[3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)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, B (A, B)	Biotin carboxylase	polymer	469	51558.0	2	UniProt (A0A0E0U408) Pfam (PF00289) Pfam (PF02786) Pfam (PF02785) UniProt (by SIFTS) (P24182)	Escherichia coli UMNK88
2	C, F (A, B)	7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine	non-polymer		389.3	2	Chemie (MQM)
3	D, E, G (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
4	H, I (A, B)	water	water		18.0	432	Chemie (HOH)

Sequence modifications

A, B: 1 - 449 (UniProt: A0A0E0U408)

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	2
	Total formula weight	103116.0
Non-Polymers*	Number of molecules	5
	Total formula weight	964.8
All*	Total formula weight	104080.8

*Water molecules are not included.