7MTU

Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P221

Replaces:  5UUW

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	384	40709.6	8	UniProt (A0A6H3A7R4) Pfam (PF00478) UniProt (by SIFTS) (A0A6L8P2U9)	Bacillus anthracis	IMP dehydrogenase,IMPD,IMPDH,IMP dehydrogenase,IMPD,IMPDH
2	BA, GA, I, JA, O... (F, G, A, H, B...)	INOSINIC ACID	non-polymer		348.2	8	Chemie (IMP)
3	J, K, KA, LA, N... (A, H, C)	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
4	CA, HA, L, NA, P... (F, G, A, H, B...)	N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-arabinopyranosylamine	non-polymer		476.0	8	Chemie (ZO7)
5	AA, DA, FA, IA, M... (E, F, G, H, A...)	POTASSIUM ION	non-polymer		39.1	9	Chemie (K)
6	EA (F)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
7	OA, PA, QA, RA, SA... (A, B, C, D, E...)	water	water		18.0	537	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 1 - 91 (UniProt: A0A6H3A7R4)

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, E, F, G, H: 221 - 487 (UniProt: A0A6H3A7R4)

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

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	325676.6
Non-Polymers*	Number of molecules	32
	Total formula weight	7559.9
All*	Total formula weight	333236.5

*Water molecules are not included.