4DFU

Inhibition of an antibiotic resistance enzyme: crystal structure of aminoglycoside phosphotransferase APH(2")-ID/APH(2")-IVA in complex with kanamycin inhibited with quercetin

Replaces:  3VCQReplaces:  3R82

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	322	38279.0	2	UniProt (O68183) Pfam (PF01636)	Enterococcus casseliflavus	APH(2")-IVA
2	C, G (A, B)	KANAMYCIN A	non-polymer		484.5	2	Chemie (KAN)
3	D, F, H (A, B)	3,5,7,3',4'-PENTAHYDROXYFLAVONE	non-polymer		302.2	3	Chemie (QUE)
4	E, I (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	J, K (A, B)	water	water		18.0	168	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Mse -20	-	expression tag
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
Arg -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	76558.1
Non-Polymers*	Number of molecules	7
	Total formula weight	1946.6
All*	Total formula weight	78504.7

*Water molecules are not included.