36YD

S. aureus DNA Gyrase in complex with OSUAB-0276 and DNA

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (C, D)	DNA (5'-D(P*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3')	polymer	20	6136.0	2		synthetic construct
2	C, D (A, B)	DNA gyrase subunit B,DNA gyrase subunit A	polymer	693	78166.1	2	UniProt (P66937) UniProt (Q99XG5)	Staphylococcus aureus subsp. aureus N315
3	E (C)	(6P)-6-(1-{1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl}-1H-1,2,3-triazol-4-yl)-2H-1,4-benzoxazin-3(4H)-one	non-polymer		503.5	1	Chemie (A1DMB)
4	F, G (A, B)	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN) PubChem (27854)

Sequence modifications

A, B: 408 - 1001 (UniProt: P66937)

PDB	External Database	Details
Gly 408	Ala 408	conflict
Met 409	Leu 409	conflict
-	Leu 544	deletion
-	Tyr 545	deletion
-	Lys 546	deletion
-	Leu 547	deletion
-	Thr 548	deletion
-	Gln 549	deletion
-	Gly 550	deletion
-	Lys 551	deletion
-	Gln 552	deletion
-	Lys 553	deletion
-	Tyr 554	deletion
-	Tyr 555	deletion
-	Val 556	deletion
-	Tyr 557	deletion
-	Asn 558	deletion
-	Asp 559	deletion
-	Arg 560	deletion
-	Glu 561	deletion
-	Leu 562	deletion
-	Asp 563	deletion
-	Lys 564	deletion
-	Leu 565	deletion
-	Lys 566	deletion
-	Ser 567	deletion
-	Glu 568	deletion
-	Leu 569	deletion
-	Asn 570	deletion
-	Pro 571	deletion
-	Thr 572	deletion
-	Pro 573	deletion
-	Lys 574	deletion
-	Trp 575	deletion
-	Ser 576	deletion
-	Ile 577	deletion
Thr 544	Ala 578	conflict
Gly 545	Arg 579	conflict

A, B: 1002 - 1491 (UniProt: Q99XG5)

PDB	External Database	Details
Phe 1123	Tyr 123	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	168604.0
Non-Polymers*	Number of molecules	3
	Total formula weight	613.4
All*	Total formula weight	169217.4

*Water molecules are not included.