9S0N

Hexameric AAV2 Rep40-dsDNA (ITR) melting complex in presence of ATPyS

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (H)	DNA	polymer	145	44697.4	1		adeno-associated virus 2
2	B, C, D, E, F... (a, b, c, d, e...)	Protein Rep40	polymer	397	44148.9	6	UniProt (Q89269)	adeno-associated virus 2
3	H, J, L (a, b, f)	PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER	non-polymer		523.2	3	Chemie (AGS)
4	I, K, M (a, b, f)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)

Sequence modifications

a, b, c, d, e, f: 25 - 336 (UniProt: Q89269)

PDB	External Database	Details
Glu 1	-	expression tag
Gln 2	-	expression tag
Asn 3	-	expression tag
Lys 4	-	expression tag
Glu 5	-	expression tag
Asn 6	-	expression tag
Gln 7	-	expression tag
Asn 8	-	expression tag
Pro 9	-	expression tag
Asn 10	-	expression tag
Ser 11	-	expression tag
Asp 12	-	expression tag
Ala 13	-	expression tag
Pro 14	-	expression tag
Val 15	-	expression tag
Ile 16	-	expression tag
Arg 17	-	expression tag
Ser 18	-	expression tag
Lys 19	-	expression tag
Thr 20	-	expression tag
Ser 21	-	expression tag
Ala 22	-	expression tag
Arg 23	-	expression tag
Tyr 24	-	expression tag
Gly 337	-	expression tag
Ser 338	-	expression tag
Leu 339	-	expression tag
Val 340	-	expression tag
Pro 341	-	expression tag
Arg 342	-	expression tag
Gly 343	-	expression tag
Ser 344	-	expression tag
Gly 345	-	expression tag
Gly 346	-	expression tag
Gly 347	-	expression tag
Gly 348	-	expression tag
Ser 349	-	expression tag
Gly 350	-	expression tag
Gly 351	-	expression tag
Gly 352	-	expression tag
Gly 353	-	expression tag
Ser 354	-	expression tag
Gly 355	-	expression tag
Gly 356	-	expression tag
Gly 357	-	expression tag
Gly 358	-	expression tag
Ser 359	-	expression tag
Met 360	-	expression tag
Asp 361	-	expression tag
Tyr 362	-	expression tag
Lys 363	-	expression tag
Asp 364	-	expression tag
His 365	-	expression tag
Asp 366	-	expression tag
Gly 367	-	expression tag
Asp 368	-	expression tag
Tyr 369	-	expression tag
Lys 370	-	expression tag
Asp 371	-	expression tag
His 372	-	expression tag
Asp 373	-	expression tag
Ile 374	-	expression tag
Asp 375	-	expression tag
Tyr 376	-	expression tag
Lys 377	-	expression tag
Asp 378	-	expression tag
Asp 379	-	expression tag
Asp 380	-	expression tag
Asp 381	-	expression tag
Lys 382	-	expression tag
Gly 383	-	expression tag
Ser 384	-	expression tag
Glu 385	-	expression tag
Asn 386	-	expression tag
Leu 387	-	expression tag
Tyr 388	-	expression tag
Phe 389	-	expression tag
Gln 390	-	expression tag
Ser 391	-	expression tag
His 392	-	expression tag
His 393	-	expression tag
His 394	-	expression tag
His 395	-	expression tag
His 396	-	expression tag
His 397	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	7
	Total formula weight	309590.9
Non-Polymers*	Number of molecules	6
	Total formula weight	1642.7
All*	Total formula weight	311233.5

*Water molecules are not included.