9PCM

Crystal structure of Rv0097 with Fe, CADA, and alpha-ketoglutarate bound (ternary complex)

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	34212.0	2	UniProt (P9WG83) Pfam (PF02668)	Mycobacterium tuberculosis
2	C (A)	2-OXOGLUTARIC ACID	non-polymer		146.1	1	Chemie (AKG)
3	D, G (A, B)	(3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid	non-polymer		245.3	2	Chemie (VY9)
4	E, H (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
5	F, I (A, B)	FE (III) ION	non-polymer		55.8	2	Chemie (FE)
6	J, K (A, B)	water	water		18.0	700	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
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	68424.0
Non-Polymers*	Number of molecules	7
	Total formula weight	960.7
All*	Total formula weight	69384.6

*Water molecules are not included.