3JZI

Crystal structure of biotin carboxylase from E. Coli in complex with benzimidazole series

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Biotin carboxylase	polymer	486	53507.1	2	UniProt (P24182) Pfam (PF00289) Pfam (PF02786) Pfam (PF02785) In PDB	Escherichia coli	Acetyl-CoA carboxylase subunit A, ACC
2	A, B	7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide	non-polymer		442.0	2	Chemie (JZL)
3		water	water		18.0	400	Chemie (HOH)

Sequence modifications

A, B: 1 - 449 (UniProt: P24182)

PDB	External Database	Details
Met -20	-	expression tag
Gly -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -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
His -9	-	expression tag
Ser -8	-	expression tag
Ser -7	-	expression tag
Gly -6	-	expression tag
His -5	-	expression tag
Ile -4	-	expression tag
Glu -3	-	expression tag
Gly -2	-	expression tag
Arg -1	-	expression tag
His 0	-	expression tag
Ser 450	-	expression tag
Asp 451	-	expression tag
Pro 452	-	expression tag
Asn 453	-	expression tag
Ser 454	-	expression tag
Ser 455	-	expression tag
Ser 456	-	expression tag
Val 457	-	expression tag
Asp 458	-	expression tag
Lys 459	-	expression tag
Leu 460	-	expression tag
Ala 461	-	expression tag
Ala 462	-	expression tag
Ala 463	-	expression tag
Leu 464	-	expression tag
Glu 465	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	107014.1
Non-Polymers*	Number of molecules	2
	Total formula weight	883.9
All*	Total formula weight	107898.0

*Water molecules are not included.