4ETW

Structure of the Enzyme-ACP Substrate Gatekeeper Complex Required for Biotin Synthesis

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, C)	Pimelyl-[acyl-carrier protein] methyl ester esterase	polymer	264	29592.1	2	UniProt (Q83PW0) Pfam (PF00561)	Shigella flexneri	Biotin synthesis protein BioH, Carboxylesterase BioH
2	C, D (D, B)	Acyl carrier protein	polymer	77	8514.3	2	UniProt (Q0T5U2) Pfam (PF00550)	Shigella flexneri 5	ACP
3	E, F (D, B)	methyl 7-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxoheptanoate	non-polymer		514.5	2	Chemie (ZMK)
4	G, H, I, J (A, C, D, B)	water	water		18.0	223	Chemie (HOH)

Sequence modifications

A, C: 1 - 257 (UniProt: Q83PW0)

PDB	External Database	Details
Ala 82	Ser 82	engineered mutation
Ala 243	Val 243	engineered mutation
Glu 258	-	expression tag
His 259	-	expression tag
His 260	-	expression tag
His 261	-	expression tag
His 262	-	expression tag
His 263	-	expression tag
His 264	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	76212.7
Non-Polymers*	Number of molecules	2
	Total formula weight	1029.1
All*	Total formula weight	77241.8

*Water molecules are not included.