4B6C

Structure of the M. smegmatis GyrB ATPase domain in complex with an aminopyrazinamide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit B	polymer	196	21993.7	2	UniProt (P0C559) Pfam (PF02518)	Mycobacterium smegmatis
2	C, E (A, B)	6-(3,4-dimethylphenyl)-3-[[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrazine-2-carboxamide	non-polymer		474.6	2	Chemie (B5U)
3	D, F (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
4	G, H (A, B)	water	water		18.0	112	Chemie (HOH)

Sequence modifications

A, B: 9 - 102 (UniProt: P0C559)

PDB	External Database	Details
Met 8	-	initiating methionine

A, B: 123 - 213 (UniProt: P0C559)

PDB	External Database	Details
Asp 213	Val 213	engineered mutation

A, B: 246 - 255 (UniProt: P0C559)

PDB	External Database	Details
Gly 246	Val 246	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	43987.5
Non-Polymers*	Number of molecules	4
	Total formula weight	995.2
All*	Total formula weight	44982.7

*Water molecules are not included.