3G7B

Staphylococcus aureus Gyrase B co-complex with METHYL ({5-[4-(4-HYDROXYPIPERIDIN-1-YL)-2-PHENYL-1,3-THIAZOL-5-YL]-1H-PYRAZOL-3-YL}METHYL)CARBAMATE inhibitor

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	184	21127.6	2	UniProt (P0A0K8) Pfam (PF02518) In PDB	Staphylococcus aureus
2	A, B	methyl ({5-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl}methyl)carbamate	non-polymer		413.5	2	Chemie (B47)
3		water	water		18.0	75	Chemie (HOH)

Sequence modifications

A, B: 24 - 230 (UniProt: P0A0K8)

PDB	External Database	Details
-	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	42255.2
Non-Polymers*	Number of molecules	2
	Total formula weight	827.0
All*	Total formula weight	43082.2

*Water molecules are not included.