9PAY

Crystal structure of Rv0097 F102W variant with vanadyl and CADA bound

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)	(3R)-3-[(carboxymethyl)amino]fatty acid oxygenase/decarboxylase	polymer	302	34251.0	2	UniProt (P9WG83)	Mycobacterium tuberculosis
2	C, F (A, B)	(3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid	non-polymer		245.3	2	Chemie (VY9)
3	D, G (A, B)	oxovanadium(2+)	non-polymer		66.9	2	Chemie (VVO)
4	E (B)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
5	H, I (A, B)	water	water		18.0	267	Chemie (HOH)

Sequence modifications

A, B: 1 - 289 (UniProt: P9WG83)

PDB	External Database	Details
Trp 102	Phe 102	engineered mutation
Lys 290	-	expression tag
Leu 291	-	expression tag
Ala 292	-	expression tag
Ala 293	-	expression tag
Ala 294	-	expression tag
Leu 295	-	expression tag
Glu 296	-	expression tag
His 297	-	expression tag
His 298	-	expression tag
His 299	-	expression tag
His 300	-	expression tag
His 301	-	expression tag
His 302	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	68502.0
Non-Polymers*	Number of molecules	5
	Total formula weight	683.6
All*	Total formula weight	69185.6

*Water molecules are not included.