4MZ1

Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Internal Deletion of CBS Domain from Campylobacter jejuni complexed with inhibitor compound P12

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 (A, B, C)	Inosine-5'-monophosphate dehydrogenase	polymer	385	41053.2	3	UniProt (Q0P9J4) Pfam (PF00478)	Campylobacter jejuni subsp. jejuni	IMP dehydrogenase, IMPD, IMPDH
2	D, K, S (A, B, C)	INOSINIC ACID	non-polymer		348.2	3	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	E, L, T (A, B, C)	1-(4-bromophenyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea	non-polymer		373.3	3	Chemie (2F1) PubChem (19168356)
4	F, M, U (A, B, C)	POTASSIUM ION	non-polymer		39.1	3	Chemie (K) PubChem (813)
5	G, O, P, V (A, B, C)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
6	H, I, J, N, Q... (A, B, C)	PHOSPHATE ION	non-polymer		95.0	6	Chemie (PO4) PubChem (1061)
7	R, X (C)	ACETIC ACID	non-polymer		60.1	2	Chemie (ACY)
8	AA, Y, Z (C, A, B)	water	water		18.0	202	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 91 (UniProt: Q0P9J4)

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

A, B, C: 196 - 485 (UniProt: Q0P9J4)

PDB	External Database	Details
Gly 92	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	123159.5
Non-Polymers*	Number of molecules	21
	Total formula weight	3356.0
All*	Total formula weight	126515.5

*Water molecules are not included.