9AUW

Crystal structure of A. baumannii 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, B, C, D, E... (A, B, C, D, E...)	Inosine-5'-monophosphate dehydrogenase	polymer	395	41522.4	8	UniProt (P31002) UniProt (A0A059ZJE9) Pfam (PF00478)	Acinetobacter baumannii	IMP dehydrogenase,IMPD,IMPDH
2	I, K, M, O, Q... (A, B, C, D, E...)	INOSINIC ACID	non-polymer		348.2	8	Chemie (IMP)
3	J, L, N, P, R... (A, B, C, D, E...)	N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide	non-polymer		398.9	8	Chemie (VP4)
4	AA, BA, CA, DA, EA... (C, D, E, F, G...)	water	water		18.0	445	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 1 - 92 (UniProt: P31002)

PDB	External Database	Details
Met -15	-	initiating methionine
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Gly -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

A, B, C, D, E, F, G, H: 202 - 488 (UniProt: A0A059ZJE9)

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	332179.0
Non-Polymers*	Number of molecules	16
	Total formula weight	5976.7
All*	Total formula weight	338155.8

*Water molecules are not included.