9UAF

Crystal structure of the OkaE-M71A mutant with a-ketoglutarate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (C, D, A, B)	Iron/alpha-ketoglutarate-dependent dioxygenase okaE	polymer	315	35439.3	4	UniProt (A0A2Z5U507)	Penicillium simplicissimum	Okaramines biosynthesis cluster protein E
2	E, G, K, M (C, D, A, B)	COBALT (II) ION	non-polymer		58.9	4	Chemie (CO)
3	F, H, L, N (C, D, A, B)	2-OXOGLUTARIC ACID	non-polymer		146.1	4	Chemie (AKG)
4	I, J (D)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	O, P, Q, R (C, D, A, B)	water	water		18.0	456	Chemie (HOH)

Sequence modifications

C, D, A, B: 2 - 300 (UniProt: A0A2Z5U507)

PDB	External Database	Details
Met -6	-	initiating methionine
Gly -5	-	expression tag
Asp -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Pro -1	-	expression tag
Glu 0	-	expression tag
Phe 1	-	expression tag
Ala 71	Met 71	engineered mutation
Trp 301	-	expression tag
Ser 302	-	expression tag
His 303	-	expression tag
Pro 304	-	expression tag
Gln 305	-	expression tag
Phe 306	-	expression tag
Glu 307	-	expression tag
Lys 308	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	141757.0
Non-Polymers*	Number of molecules	10
	Total formula weight	1004.3
All*	Total formula weight	142761.3

*Water molecules are not included.