9C4M

Crystal Structure of A. baumannii GuaB dCBS with inhibitor G6 (3826)

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, B, C, D, E... (A, B, C, D, E...)	Inosine-5'-monophosphate dehydrogenase	polymer	395	41522.4	8	UniProt (P31002) 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-(morpholin-4-yl)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide	non-polymer		440.9	8	Chemie (A1AUF)
4	AA, BA, CA, DA, EA... (C, D, E, F, G...)	water	water		18.0	1770	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: P31002)

PDB	External Database	Details
Arg 340	Pro 340	conflict
Ala 395	Arg 395	conflict

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	332179.0
Non-Polymers*	Number of molecules	16
	Total formula weight	6313.0
All*	Total formula weight	338492.1

*Water molecules are not included.