6GGI

Crystal structure of CotB2 in complex with 2-fluoro-3,7,18-dolabellatriene

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Cyclooctat-9-en-7-ol synthase	polymer	318	36770.5	2	UniProt (C9K1X5) Pfam (PF19086) In PDB	Streptomyces melanosporofaciens
2	A, B	MAGNESIUM ION	non-polymer		24.3	9	Chemie (MG)
3	A, B	PYROPHOSPHATE	non-polymer		178.0	2	Chemie (PPV)
4	A, B	2-fluoro-3,7,18-dolabellatriene	non-polymer		290.5	2	Chemie (EXW)
5	A, B	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	2	Chemie (MPD)
6	A, B	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
7	A	ACETONITRILE	non-polymer		41.1	1	Chemie (CCN)
8	A, B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
9	A, B	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
10		water	water		18.0	283	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
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	73541.0
Non-Polymers*	Number of molecules	23
	Total formula weight	1829.8
All*	Total formula weight	75370.9

*Water molecules are not included.