3LTN

Inhibitor-stabilized topoisomerase IV-DNA cleavage complex (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 topoisomerase 4 subunit A	polymer	496	56455.4	2	UniProt (P72525) Pfam (PF00521) In PDB	Streptococcus pneumoniae	ParC55, Topoisomerase IV subunit A
2	C, D	DNA topoisomerase 4 subunit B	polymer	268	30415.7	2	UniProt (Q59961) Pfam (PF01751) Pfam (PF00986) In PDB	Streptococcus pneumoniae	ParE30, Topoisomerase IV subunit B
3	E	5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*T)-3'	polymer	15	4602.0	1
4	F	5'-D(P*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*GP*AP*CP*CP*TP*TP*GP*GP*T)-3'	polymer	19	5810.8	1
5	G	5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*T)-3'	polymer	15	4566.0	1
6	H	5'-D(P*GP*AP*CP*TP*AP*TP*GP*CP*AP*CP*GP*TP*AP*AP*AP*AP*CP*AP*G)-3'	polymer	19	5846.8	1
7	C, D	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
8	F, H	3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione	non-polymer		361.4	2	Chemie (PDQ)
9		water	water		18.0	5	Chemie (HOH)

Sequence modifications

A, B: 1 - 488 (UniProt: P72525)

PDB	External Database	Details
Leu 489	-	expression tag
Glu 490	-	expression tag
His 491	-	expression tag
His 492	-	expression tag
His 493	-	expression tag
His 494	-	expression tag
His 495	-	expression tag
His 496	-	expression tag

C, D: 404 - 647 (UniProt: Q59961)

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	194567.9
Non-Polymers*	Number of molecules	4
	Total formula weight	771.4
All*	Total formula weight	195339.3

*Water molecules are not included.