9YPM

MboA with Leu-Ala-Arg peptide substrate and two Fe(II) ions 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, C, D (A, B, C, D)	Mangotoxin biosynthesis protein MboA	polymer	250	28433.1	4	UniProt (A0A244EXR3)	Pseudomonas syringae
2	E, F, G, H (J, K, L, M)	LEU-ALA-ARG peptide substrate	polymer	3	359.4	4		synthetic construct
3	EA, FA, GA, HA, I... (B, A, D, C)	SULFATE ION	non-polymer		96.1	15	Chemie (SO4)
4	AB, BB, JA, KA, LA... (C, B, A, D)	CHLORIDE ION	non-polymer		35.5	12	Chemie (CL) PubChem (312)
5	CB, DB, NA, OA, Q... (C, B, A, D)	FE (II) ION	non-polymer		55.8	8	Chemie (FE2) PubChem (27284)
6	AA, AC, BA, BC, CA... (A, D, C, B)	GLYCEROL	non-polymer		92.1	36	Chemie (GOL) PubChem (753)
7	OB, PB, WA (C, B)	ACETATE ION	non-polymer		59.0	3	Chemie (ACT) PubChem (175)
8	EC, FC, GC, HC, IC... (A, B, C, D, J...)	water	water		18.0	270	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 225 (UniProt: A0A244EXR3)

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

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	115170.2
Non-Polymers*	Number of molecules	74
	Total formula weight	5805.7
All*	Total formula weight	120975.8

*Water molecules are not included.