5UPV

Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis In the presence of G36

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	polymer	407	41642.6	1	UniProt (P9WKI7) Pfam (PF00478)	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	IMPDH,IMPDH2
2	B (A)	INOSINIC ACID	non-polymer		348.2	1	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	C (A)	N-{(1S)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-N'-phenylurea	non-polymer		337.4	1	Chemie (8KV) PubChem (124201670)
4	D, F, I (A)	FORMIC ACID	non-polymer		46.0	3	Chemie (FMT) PubChem (284)
5	E, G, H (A)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
6	J (A)	water	water		18.0	159	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: 256 - 529 (UniProt: P9WKI7)

PDB	External Database	Details
Gly 126	-	linker
Gly 127	-	linker
Leu 253	-	linker
Leu 254	-	linker
Val 255	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	41642.6
Non-Polymers*	Number of molecules	8
	Total formula weight	1009.9
All*	Total formula weight	42652.5

*Water molecules are not included.