9UAD

Crystal structure of the OkaE-M64A mutant with a-ketoglutarate and okaramine A

This is a non-PDB format compatible entry.

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 (A, B, C, D)	Iron/alpha-ketoglutarate-dependent dioxygenase okaE	polymer	315	35439.3	4	UniProt (A0A2Z5U507)	Penicillium simplicissimum	Okaramines biosynthesis cluster protein E
2	E, H, J, L (A, B, C, D)	COBALT (II) ION	non-polymer		58.9	4	Chemie (CO)
3	F, I, K, M (A, B, C, D)	2-OXOGLUTARIC ACID	non-polymer		146.1	4	Chemie (AKG)
4	G (A)	(1Z,4R,12S,14S,17Z)-12-hydroxy-19,19-dimethyl-5-(2-methylbut-3-en-2-yl)-3,5,16,21-tetrazaheptacyclo[14.13.0.03,14.04,12.06,11.020,28.022,27]nonacosa-1(29),6,8,10,17,20(28),22,24,26-nonaene-2,15-dione	non-polymer		520.6	1	Chemie (A1EMZ)
5	N, O, P, Q (A, B, C, D)	water	water		18.0	517	Chemie (HOH)

Sequence modifications

A, B, C, D: 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 64	Met 64	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	9
	Total formula weight	1340.7
All*	Total formula weight	143097.7

*Water molecules are not included.