4RH1

Spore photoproduct lyase C140A/S76C mutant with bound AdoMet and dinucleoside spore photoproduct

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Spore photoproduct lyase	polymer	368	42959.9	1	UniProt (A4IQU1) Pfam (PF20903)	Geobacillus thermodenitrificans NG80-2
2	B (A)	IRON/SULFUR CLUSTER	non-polymer		351.6	1	Chemie (SF4)
3	C (A)	[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-methyl-selanium	non-polymer		446.3	1	Chemie (EEM)
4	D, E, F, G, H... (A)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
5	J (A)	1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5R)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione	non-polymer		484.5	1	Chemie (0TT)
6	K (A)	water	water		18.0	43	Chemie (HOH)

Sequence modifications

A: 2 - 341 (UniProt: A4IQU1)

PDB	External Database	Details
Met -26	-	expression tag
Lys -25	-	expression tag
His -24	-	expression tag
His -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
Pro -18	-	expression tag
Met -17	-	expression tag
Ser -16	-	expression tag
Asp -15	-	expression tag
Tyr -14	-	expression tag
Asp -13	-	expression tag
Ile -12	-	expression tag
Pro -11	-	expression tag
Thr -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Gly -2	-	expression tag
Ala -1	-	expression tag
Met 0	-	expression tag
Gly 1	-	expression tag
Cys 76	Ser 76	engineered mutation
Ala 140	Cys 140	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42959.9
Non-Polymers*	Number of molecules	9
	Total formula weight	1858.8
All*	Total formula weight	44818.7

*Water molecules are not included.