3QBC

Structure and design of a new pterin site inhibitor of S. aureus HPPK

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)	2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase	polymer	161	18304.1	2	UniProt (Q99W87) Pfam (PF01288) UniProt (by SIFTS) (A0A0H3JXR3)	Staphylococcus aureus
2	C, D (A, B)	2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one	non-polymer		183.2	2	Chemie (B55)
3	E, F (A, B)	water	water		18.0	254	Chemie (HOH)

Sequence modifications

A, B: 1 - 158 (UniProt: Q99W87)

PDB	External Database	Details
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	36608.2
Non-Polymers*	Number of molecules	2
	Total formula weight	366.4
All*	Total formula weight	36974.6

*Water molecules are not included.