6TCK

Crystal structure of the ATP binding domain of S. aureus GyrB complexed with ULD-2

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 B	polymer	212	23931.6	2	UniProt (P0A0K8) Pfam (PF02518) In PDB	Staphylococcus aureus
2	A, B	2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid	non-polymer		476.3	2	Chemie (N1N)
3	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	A, B	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	5	Chemie (MPD)
5	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
6	B	IMIDAZOLE	non-polymer		69.1	1	Chemie (IMD)
7	B	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
8	B	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
9		water	water		18.0	196	Chemie (HOH)

Sequence modifications

A, B: 2 - 234 (UniProt: P0A0K8)

PDB	External Database	Details
Gly 0	-	expression tag
Ser 1	-	expression tag
-	Val 105	deletion
-	Leu 106	deletion
-	His 107	deletion
-	Ala 108	deletion
-	Gly 109	deletion
-	Gly 110	deletion
-	Lys 111	deletion
-	Phe 112	deletion
-	Gly 113	deletion
-	Gly 114	deletion
-	Gly 115	deletion
-	Gly 116	deletion
-	Tyr 117	deletion
-	Lys 118	deletion
-	Val 119	deletion
-	Ser 120	deletion
-	Gly 121	deletion
-	Gly 122	deletion
-	Leu 123	deletion
-	His 124	deletion
-	Gly 125	deletion
-	Val 126	deletion
-	Gly 127	deletion

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	47863.2
Non-Polymers*	Number of molecules	13
	Total formula weight	1893.8
All*	Total formula weight	49757.0

*Water molecules are not included.