7E1S

Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori in complex with octanoyl-ACP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	2-nitropropane dioxygenase	polymer	372	40871.3	2	UniProt (A0A0B2E3F3) Pfam (PF03060) UniProt (by SIFTS) (B5Z7D6)	Helicobacter pylori	FabX, Nitronate monooxygenase
2	B, D (B, D)	Acyl carrier protein,Acyl carrier protein	polymer	86	9363.5	2	UniProt (A0A2T6RV84) UniProt (A0A0B2DUK3) Pfam (PF00550) UniProt (by SIFTS) (B5Z6T1)	Helicobacter pylori	ACP,ACP
3	E, H (A, C)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	2	Chemie (FMN)
4	F, I (A, C)	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
5	G, J (B, D)	S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate	non-polymer		484.5	2	Chemie (66S)
6	K, L, M, N (A, B, C, D)	water	water		18.0	195	Chemie (HOH)

Sequence modifications

A, C: 1 - 363 (UniProt: A0A0B2E3F3)

PDB	External Database	Details
Met -8	-	initiating methionine
Lys -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
His 0	-	expression tag

B, D: 1 - 36 (UniProt: A0A2T6RV84)

PDB	External Database	Details
Gly -7	-	expression tag
Thr -6	-	expression tag
Ser -5	-	expression tag
Ser -4	-	expression tag
Met -3	-	expression tag
Gly -2	-	expression tag
Tyr -1	-	expression tag
Leu 0	-	expression tag

B, D: 37 - 78 (UniProt: A0A0B2DUK3)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	100469.7
Non-Polymers*	Number of molecules	6
	Total formula weight	2585.1
All*	Total formula weight	103054.7

*Water molecules are not included.