9AUZ

Crystal structure of S. aureus GuaB dCBS with inhibitor GNE9979

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)	Staphylococcus aureus	IMP dehydrogenase,IMPD,IMPDH
2	B (A)	INOSINIC ACID	non-polymer		348.2	1	Chemie (IMP)
3	C (A)	N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide	non-polymer		398.9	1	Chemie (VP4)
4	D (A)	water	water		18.0	71	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	747.1
All*	Total formula weight	41345.2

*Water molecules are not included.