9DC9

Mtb GuaB dCBS in complex with inhibitor compound 5

This is a non-PDB format compatible entry.

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	422	43453.5	1	UniProt (P9WKI7) Pfam (PF00478)	Mycobacterium tuberculosis	IMP dehydrogenase,IMPD,IMPDH,IMPDH2
2	B (A)	INOSINIC ACID	non-polymer		348.2	1	Chemie (IMP)
3	C (A)	(3P)-3-(4-chloro-1H-imidazol-2-yl)-5-[(1R)-1-{[(3M)-3-(1H-pyrazol-5-yl)phenyl]oxy}ethyl]pyridine	non-polymer		365.8	1	Chemie (A1A3K)
4	D (A)	water	water		18.0	267	Chemie (HOH)

Sequence modifications

A: 2 - 125 (UniProt: P9WKI7)

PDB	External Database	Details
Met -14	-	initiating methionine
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Gly -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag

A: 253 - 529 (UniProt: P9WKI7)

PDB	External Database	Details
Gly 126	-	linker
Gly 127	-	linker
Gly 530	-	expression tag
Asn 531	-	expression tag
Ser 532	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	43453.5
Non-Polymers*	Number of molecules	2
	Total formula weight	714.0
All*	Total formula weight	44167.5

*Water molecules are not included.