5URS

Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P178

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...	Inosine-5'-monophosphate dehydrogenase	polymer	384	40709.6	8	UniProt (Q81W29) Pfam (PF00478) UniProt (by SIFTS) (A0A6L8P2U9) In PDB	Bacillus anthracis	IMPDH
2	F, G, A, H, B...	INOSINIC ACID	non-polymer		348.2	8	Chemie (IMP)
3	F, G, A, H, B...	N-[4-chloro-3-(alpha-D-ribofuranosyloxy)phenyl]-N'-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea	non-polymer		476.9	8	Chemie (8LA)
4	E, F, G, A, B...	POTASSIUM ION	non-polymer		39.1	8	Chemie (K)
5	A	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
6	E, C	PHOSPHATE ION	non-polymer		95.0	3	Chemie (PO4)
7	D	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
8	E	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
9		water	water		18.0	327	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 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, E, F, G, H: 221 - 487 (UniProt: Q81W29)

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	30
	Total formula weight	7459.2
All*	Total formula weight	333135.8

*Water molecules are not included.