8GRI

Orf1-E312A-glycine-glycylthricin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, F	N-formimidoyl fortimicin A synthase	polymer	512	55081.9	3	UniProt (A0A125SZC1) Pfam (PF01266) In PDB	Streptomyces luteocolor
2	C, D, E, G, H	N-formimidoyl fortimicin A synthase	polymer	512	54994.9	5	UniProt (A0A125SZC1) Pfam (PF01266) In PDB	Streptomyces luteocolor
3	G, H, A, B, C...	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	8	Chemie (FAD)
4	G, H, A, B, C...	GLYCINE	non-polymer		75.1	8	Chemie (GLY)
5	G, H, A, B, C...	[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{E})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(2-azanylethanoylamino)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate	non-polymer		431.4	8	Chemie (I55)
6		water	water		18.0	686	Chemie (HOH)

Sequence modifications

A, B, F: 1 - 491 (UniProt: A0A125SZC1)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag
Ala 312	Glu 312	engineered mutation

C, D, E, G, H: 1 - 491 (UniProt: A0A125SZC1)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag
Ala 312	Glu 312	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	440220.2
Non-Polymers*	Number of molecules	24
	Total formula weight	10336.1
All*	Total formula weight	450556.3

*Water molecules are not included.