8AI4

Crystal structure of radical SAM epimerase EpeE C223A mutant from Bacillus subtilis with [4Fe-4S] clusters, S-adenosyl-L-homocysteine and RiPP peptide 5 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)	Radical SAM core domain-containing protein	polymer	344	39920.4	2	UniProt (A0A0A1MJP5) Pfam (PF13353) Pfam (PF04055) UniProt (by SIFTS) (Q45595)	Bacillus subtilis
2	C, D (C, D)	Putative exported peptide YydF	polymer	11	1422.7	2	UniProt (Q45596)	Bacillus subtilis
3	E, F, T, U (A, B)	IRON/SULFUR CLUSTER	non-polymer		351.6	4	Chemie (SF4)
4	G, V (A, B)	S-ADENOSYL-L-HOMOCYSTEINE	non-polymer		384.4	2	Chemie (SAH)
5	AA, BA, CA, DA, EA... (B, A)	1,2-ETHANEDIOL	non-polymer		62.1	18	Chemie (EDO)
6	FA, I, K, Q, R (B, A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	5	Chemie (PEG)
7	Y (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
8	IA, JA, KA, LA (A, B, C, D)	water	water		18.0	552	Chemie (HOH)

Sequence modifications

A, B: 1 - 319 (UniProt: A0A0A1MJP5)

PDB	External Database	Details
Met -24	-	initiating methionine
Ala -23	-	expression tag
Ser -22	-	expression tag
Trp -21	-	expression tag
Ser -20	-	expression tag
His -19	-	expression tag
Pro -18	-	expression tag
Gln -17	-	expression tag
Phe -16	-	expression tag
Glu -15	-	expression tag
Lys -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Gly -11	-	expression tag
Gly -10	-	expression tag
Gly -9	-	expression tag
Gly -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag
Ala 223	Cys 223	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	82686.1
Non-Polymers*	Number of molecules	30
	Total formula weight	3915.3
All*	Total formula weight	86601.4

*Water molecules are not included.