7PD2

Crystal structure of the substrate-free radical SAM tyrosine lyase ThiH (2-iminoacetate synthase) from Thermosinus carboxydivorans

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)	Thiazole biosynthesis protein ThiH	polymer	377	43035.1	2	UniProt (A1HPQ5) Pfam (PF04055) Pfam (PF06968)	Thermosinus carboxydivorans Nor1	2-iminoacetate synthase ThiH
2	C, K (A, B)	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
3	D, L (A, B)	5'-DEOXYADENOSINE	non-polymer		251.2	2	Chemie (5AD) PubChem (16725083) PubChem (23638944) PubChem (25201172) PubChem (25796474) PubChem (25796475) PubChem (23615209) PubChem (40467849) PubChem (40467848) PubChem (676784) PubChem (6541038) PubChem (57115448) PubChem (59731278) PubChem (90321697) PubChem (121275112) PubChem (142) PubChem (71678) PubChem (124363198) PubChem (439182) PubChem (449044) PubChem (1277776) PubChem (6398669) PubChem (6928544) PubChem (12827542) PubChem (133636852) PubChem (140689696) PubChem (142801875) PubChem (142801934)
4	E, M (A, B)	METHIONINE	non-polymer		149.2	2	Chemie (MET) PubChem (876) PubChem (6137) PubChem (84815)
5	F, G, N (A, B)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL) PubChem (753)
6	H, I, J, O, P... (A, B)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
7	R, S (A, B)	water	water		18.0	247	Chemie (HOH)

Sequence modifications

A, B: 2 - 367 (UniProt: A1HPQ5)

PDB	External Database	Details
Met -9	-	initiating methionine
Trp -8	-	expression tag
Ser -7	-	expression tag
His -6	-	expression tag
Pro -5	-	expression tag
Gln -4	-	expression tag
Phe -3	-	expression tag
Glu -2	-	expression tag
Lys -1	-	expression tag
Ala 0	-	expression tag
Ser 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	86070.1
Non-Polymers*	Number of molecules	15
	Total formula weight	2356.8
All*	Total formula weight	88427.0

*Water molecules are not included.