7AO3

Crystal structure of CotB2 variant F149L in complex with alendronate

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)	Cyclooctat-9-en-7-ol synthase	polymer	318	36736.5	2	UniProt (C9K1X5) Pfam (PF19086)	Streptomyces melanosporofaciens
2	C, O (A, B)	4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE	non-polymer		245.1	2	Chemie (AHD)
3	D, E, N, P (A, B)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	4	Chemie (MPD)
4	F, G, H, J, K... (A, B)	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
5	I, M (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
6	Q, R (A, B)	water	water		18.0	468	Chemie (HOH)

Sequence modifications

A, B: 1 - 307 (UniProt: C9K1X5)

PDB	External Database	Details
Leu 149	Phe 149	engineered mutation
Ala 308	-	expression tag
Ala 309	-	expression tag
Ala 310	-	expression tag
Leu 311	-	expression tag
Glu 312	-	expression tag
His 313	-	expression tag
His 314	-	expression tag
His 315	-	expression tag
His 316	-	expression tag
His 317	-	expression tag
His 318	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	73473.0
Non-Polymers*	Number of molecules	14
	Total formula weight	1179.6
All*	Total formula weight	74652.6

*Water molecules are not included.