4Z2C

Quinolone(Moxifloxacin)-DNA cleavage complex of gyrase from S. pneumoniae

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	DNA gyrase subunit A	polymer	499	56747.3	2	UniProt (Q9R867) Pfam (PF00521) UniProt (by SIFTS) (Q8DPM2) In PDB	Streptococcus pneumoniae
2	C, D	DNA gyrase subunit B	polymer	269	30286.2	2	UniProt (Q59957) Pfam (PF01751) Pfam (PF00986) UniProt (by SIFTS) (P0A4M0) In PDB	Streptococcus pneumoniae
3	E, G	Symmetrized E-site DNA	polymer	15	4590.0	2		Escherichia coli
4	F, H	Symmetrized E-site DNA	polymer	19	5821.8	2		Escherichia coli
5	F, H	1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid	non-polymer		401.4	2	Chemie (MFX)
6	H, G	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
7		water	water		18.0	9	Chemie (HOH)

Sequence modifications

A, B: 1 - 493 (UniProt: Q9R867)

PDB	External Database	Details
His 494	-	expression tag
His 495	-	expression tag
His 496	-	expression tag
His 497	-	expression tag
His 498	-	expression tag
His 499	-	expression tag

C, D: 404 - 648 (UniProt: Q59957)

PDB	External Database	Details
Met 380	-	initiating methionine
Gly 381	-	expression tag
His 382	-	expression tag
His 383	-	expression tag
His 384	-	expression tag
His 385	-	expression tag
His 386	-	expression tag
His 387	-	expression tag
His 388	-	expression tag
His 389	-	expression tag
His 390	-	expression tag
His 391	-	expression tag
Ser 392	-	expression tag
Ser 393	-	expression tag
Gly 394	-	expression tag
His 395	-	expression tag
Ile 396	-	expression tag
Asp 397	-	expression tag
Asp 398	-	expression tag
Asp 399	-	expression tag
Asp 400	-	expression tag
Lys 401	-	expression tag
His 402	-	expression tag
Met 403	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	194890.6
Non-Polymers*	Number of molecules	4
	Total formula weight	851.5
All*	Total formula weight	195742.0

*Water molecules are not included.