4QJ1

Co-crystal structure of the catalytic domain of the inosine monophosphate dehydrogenase from Cryptosporidium parvum with inhibitor N109

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	361	38506.4	4	UniProt (Q8T6T2) Pfam (PF00478)	Cryptosporidium parvum	IMPDH
2	E, G, K, M (A, B, C, D)	INOSINIC ACID	non-polymer		348.2	4	Chemie (IMP)
3	F, H, I, N (A, B, D)	N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1(4H)-yl)acetamide	non-polymer		383.8	4	Chemie (N09)
4	J (B)	ACETIC ACID	non-polymer		60.1	1	Chemie (ACY)
5	L, O, Q (C, D)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
6	P (D)	FORMIC ACID	non-polymer		46.0	1	Chemie (FMT)
7	R, S, T, U (A, B, C, D)	water	water		18.0	133	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 89 (UniProt: Q8T6T2)

PDB	External Database	Details
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag

A, B, C, D: 90 - 400 (UniProt: Q8T6T2)

PDB	External Database	Details
Ser 90	Lys 132	engineered mutation
Gly 92	Arg 134	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	154025.7
Non-Polymers*	Number of molecules	13
	Total formula weight	3220.2
All*	Total formula weight	157245.9

*Water molecules are not included.