4MYA

Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor A110

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Inosine-5'-monophosphate dehydrogenase	polymer	384	40709.6	2	UniProt (Q81W29) Pfam (PF00478) UniProt (by SIFTS) (A0A6L8P2U9)	Bacillus anthracis (anthrax anthrax bacterium)	IMP dehydrogenase, IMPD, IMPDH
2	C, G (A, B)	INOSINIC ACID	non-polymer		348.2	2	Chemie (IMP)
3	D, H (A, B)	4-{(1R)-1-[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]ethoxy}quinolin-2(1H)-one	non-polymer		366.8	2	Chemie (2EY)
4	E, F, I (A, B)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
5	J, K (A, B)	water	water		18.0	491	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -23	-	expression tag
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: 221 - 487 (UniProt: Q81W29)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	81419.1
Non-Polymers*	Number of molecules	7
	Total formula weight	1706.3
All*	Total formula weight	83125.4

*Water molecules are not included.