8QWS

Crystal structure of CotB2 variant V80L 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	36784.6	2	UniProt (C9K1X5) Pfam (PF19086)	Streptomyces melanosporofaciens
2	C, S (A, B)	4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE	non-polymer		245.1	2	Chemie (AHD)
3	D, E, F, T, U... (A, B)	MAGNESIUM ION	non-polymer		24.3	7	Chemie (MG)
4	CA, EA, G, H, I... (B, A)	1,2-ETHANEDIOL	non-polymer		62.1	11	Chemie (EDO)
5	BA, GA, HA, J (B, A)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	4	Chemie (MPD)
6	AA, DA, L, O, P (B, A)	ACETATE ION	non-polymer		59.0	5	Chemie (ACT)
7	FA, Q (B, A)	2-(2-METHOXYETHOXY)ETHANOL	non-polymer		120.1	2	Chemie (PG0)
8	X (B)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
9	IA, JA (A, B)	water	water		18.0	315	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Leu 80	Val 80	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	73569.1
Non-Polymers*	Number of molecules	32
	Total formula weight	2386.7
All*	Total formula weight	75955.8

*Water molecules are not included.