9RP2

Ensemble refined structure of CotB2 F107A 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	36694.4	2	UniProt (C9K1X5) Pfam (PF19086)	Streptomyces melanosporofaciens
2	C, E, J, P (A, B)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	4	Chemie (MPD)
3	D, O (A, B)	4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE	non-polymer		245.1	2	Chemie (AHD)
4	F, G, H, K, L... (A, B)	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
5	I, N (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
6	Q, R (A, B)	water	water		18.0	353	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ala 107	Phe 107	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	73388.9
Non-Polymers*	Number of molecules	14
	Total formula weight	1179.6
All*	Total formula weight	74568.4

*Water molecules are not included.