4ZQO

Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor Q67

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase	polymer	407	41642.6	1	UniProt (P9WKI7) Pfam (PF00478)	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	IMPDH
2	B (A)	INOSINIC ACID	non-polymer		348.2	1	Chemie (IMP) PubChem (135398640) PubChem (135486133) PubChem (137168789) PubChem (174152734) PubChem (135402036) PubChem (135449337) PubChem (135464200) PubChem (135530792) PubChem (135533971) 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 (137257909) PubChem (138454308) PubChem (162510533)
3	C (A)	N~2~-(2,3-dichlorophenyl)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]-L-alaninamide	non-polymer		427.3	1	Chemie (Q67) PubChem (71662775) PubChem (71662590) PubChem (73297119)
4	D (A)	POTASSIUM ION	non-polymer		39.1	1	Chemie (K) PubChem (813)
5	E (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL) PubChem (753)
6	F (A)	S-1,2-PROPANEDIOL	non-polymer		76.1	1	Chemie (PGO)
7	G (A)	water	water		18.0	188	Chemie (HOH)

Sequence modifications

A: 1 - 125 (UniProt: P9WKI7)

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

A: 253 - 529 (UniProt: P9WKI7)

PDB	External Database	Details
Gly 126	-	linker
Gly 127	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	41642.6
Non-Polymers*	Number of molecules	5
	Total formula weight	982.8
All*	Total formula weight	42625.4

*Water molecules are not included.