2XCR

The 3.5A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase complexed with GSK299423 and DNA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, E, F (B, D, S, U)	DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A	polymer	726	82328.9	4	UniProt (P66937) UniProt (Q99XG5) Pfam (PF01751) Pfam (PF00986) Pfam (PF00521)	STAPHYLOCOCCUS AUREUS
2	C, D (E, F)	5'-D(*5UA*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP *GP*CP*TP)-3'	polymer	20	6100.0	2		SYNTHETIC CONSTRUCT
3	G, H (V, W)	5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP *GP*CP*TP)-3'	polymer	20	6136.0	2		SYNTHETIC CONSTRUCT
4	I, J (E, W)	6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE	non-polymer		461.6	2	Chemie (RXV)

Sequence modifications

B, D, S, U: 410 - 644 (UniProt: P66937)
B, D, S, U: 1002 - 1491 (UniProt: Q99XG5)

PDB	External Database	Details
Met 409	-	expression tag
Phe 1123	Tyr 123	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	353787.5
Non-Polymers*	Number of molecules	2
	Total formula weight	923.2
All*	Total formula weight	354710.6

*Water molecules are not included.