9AV0

Crystal structure of S. aureus GuaB dCBS with inhibitor GNE2011

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Inosine-5'-monophosphate dehydrogenase	polymer	380	40598.1	1	UniProt (Q2FJM6) Pfam (PF00478) UniProt (by SIFTS) (Q2G0Y7)	Staphylococcus aureus	IMP dehydrogenase,IMPD,IMPDH
2	B (A)	INOSINIC ACID	non-polymer		348.2	1	Chemie (IMP)
3	C (A)	9-{(1R)-1-[(5P)-5-(4-chloro-1H-imidazol-2-yl)pyridin-3-yl]ethoxy}-1,4-dihydro-2H-pyrano[3,4-c]quinoline	non-polymer		406.9	1	Chemie (A1AG0)
4	D (A)	water	water		18.0	29	Chemie (HOH)

Sequence modifications

A: 2 - 91 (UniProt: Q2FJM6)

PDB	External Database	Details
Met -14	-	initiating methionine
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Gly -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag

A: 220 - 488 (UniProt: Q2FJM6)

PDB	External Database	Details
Gly 92	-	linker
Gly 93	-	linker
Gly 489	-	expression tag
Asn 490	-	expression tag
Ser 491	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	40598.1
Non-Polymers*	Number of molecules	2
	Total formula weight	755.1
All*	Total formula weight	41353.2

*Water molecules are not included.