2XCT

The twinned 3.35A structure of S. aureus Gyrase complex with Ciprofloxacin 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, G, H (B, D, S, U)	DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A	polymer	692	78109.0	4	UniProt (P66937) UniProt (Q99XG5) Pfam (PF01751) Pfam (PF00986) Pfam (PF00521)	STAPHYLOCOCCUS AUREUS
2	C, I (E, V)	5'-D(TP*GP*TP*GP*CP*GP*GP*T)-3'	polymer	8	2473.6	2		SYNTHETIC CONSTRUCT
3	D, J (F, W)	5'-D(AP*GP*CP*CP*GP*TP*AP*G)-3'	polymer	8	2451.6	2		SYNTHETIC CONSTRUCT
4	E, K (G, X)	5'-D(GP*TP*AP*CP*CP*CP*AP*CP*GP*GP*CP*T)-3'	polymer	12	3623.4	2		SYNTHETIC CONSTRUCT
5	F, L (H, Y)	5'-D(GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3'	polymer	12	3616.4	2		SYNTHETIC CONSTRUCT
6	M, N, O, Q, S... (B, D, F, G, S...)	MANGANESE (II) ION	non-polymer		54.9	8	Chemie (MN)
7	P, R, W, X (G, H, X, Y)	1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID	non-polymer		331.3	4	Chemie (CPF)

Sequence modifications

B, D, S, U: 410 - 545 (UniProt: P66937)

PDB	External Database	Details
Met 409	-	expression tag
Thr 544	-	insertion
Gly 545	-	insertion

B, D, S, U: 580 - 644 (UniProt: P66937)
B, D, S, U: 1002 - 1491 (UniProt: Q99XG5)

PDB	External Database	Details
Phe 1123	Tyr 123	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	336766.0
Non-Polymers*	Number of molecules	12
	Total formula weight	1764.9
All*	Total formula weight	338530.9

*Water molecules are not included.