5UUV

Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with a product IMP and the inhibitor P182

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 (A, B, C, D)	Inosine-5'-monophosphate dehydrogenase	polymer	384	40709.6	4	UniProt (Q81W29) Pfam (PF00478) UniProt (by SIFTS) (A0A6L8P2U9)	Bacillus anthracis	IMPDH
2	E, I, N, Q (A, B, C, D)	INOSINIC ACID	non-polymer		348.2	4	Chemie (IMP)
3	F, J, O, R (A, B, C, D)	N-{4-chloro-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl}-N'-(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)urea	non-polymer		496.9	4	Chemie (8L1)
4	G, H, K, M (A, B)	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
5	L, P (B, C)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	S, T, U, V (A, B, C, D)	water	water		18.0	40	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 91 (UniProt: Q81W29)

PDB	External Database	Details
Met -23	-	initiating methionine
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
Gly -14	-	expression tag
Val -13	-	expression tag
Asp -12	-	expression tag
Leu -11	-	expression tag
Gly -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag

A, B, C, D: 221 - 487 (UniProt: Q81W29)

PDB	External Database	Details
Gly 92	-	linker
Gly 220	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	162838.3
Non-Polymers*	Number of molecules	14
	Total formula weight	3721.1
All*	Total formula weight	166559.4

*Water molecules are not included.