4RV8

Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Cryptosporidium parvum and the inhibitor p131

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	38554.4	4	UniProt (Q8T6T2)	Cryptosporidium parvum	IMP dehydrogenase, IMPD, IMPDH
2	E, I, N, Q (A, B, C, D)	INOSINIC ACID	non-polymer		348.2	4	Chemie (IMP) PubChem (177678963) PubChem (135464200) PubChem (135533971) PubChem (138454308) PubChem (135398640) PubChem (135402036) PubChem (135449337) PubChem (135486133) PubChem (135530792) PubChem (135567013) PubChem (135705234) PubChem (135854804) PubChem (135889742) PubChem (136026456) PubChem (136073920) PubChem (136217866) PubChem (136259539) PubChem (136716177) PubChem (136766861) PubChem (136811071) PubChem (137162990) PubChem (137168789) PubChem (137257909) PubChem (162510533) PubChem (174152734)
3	F, J, M, P (A, B, C)	1-(2-{3-[(1E)-N-(2-aminoethoxy)ethanimidoyl]phenyl}propan-2-yl)-3-(4-chloro-3-nitrophenyl)urea	non-polymer		433.9	4	Chemie (I13) PubChem (71457199) PubChem (78073862) PubChem (118254665)
4	G, K, O, R (A, B, C, D)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL) PubChem (753)
5	H, L (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG) PubChem (8117)
6	S, T, U, V (A, B, C, D)	water	water		18.0	339	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: 135 - 400 (UniProt: Q8T6T2)

PDB	External Database	Details
Ser 90	-	linker
Gly 91	-	linker
Gly 92	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	154217.7
Non-Polymers*	Number of molecules	14
	Total formula weight	3709.0
All*	Total formula weight	157926.7

*Water molecules are not included.