9DC8

Mtb GuaB dCBS in complex with inhibitor G1

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, D, E (A)	N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide	non-polymer		382.8	3	Chemie (VOA)
4	F (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
5	G (A)	water	water		18.0	203	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	5
	Total formula weight	1592.8
All*	Total formula weight	45046.3

*Water molecules are not included.