5C4L

Conformational alternate of sisomicin in complex with APH(2")-IVa

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)	APH(2'')-Id	polymer	321	37595.9	2	UniProt (O68183) Pfam (PF01636)	Enterococcus casseliflavus
2	C (A)	(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-ol	non-polymer		144.2	1	Chemie (4XR)
3	D (B)	(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside	non-polymer		447.5	1	Chemie (SIS)
4	E, F (A, B)	water	water		18.0	55	Chemie (HOH)

Sequence modifications

A, B: 1 - 301 (UniProt: O68183)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Gln 26	Glu 26	engineered mutation
Lys 30	Glu 30	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	75191.7
Non-Polymers*	Number of molecules	2
	Total formula weight	591.7
All*	Total formula weight	75783.4

*Water molecules are not included.