12LG

Mtb GuaB2 dCBS in complex with inhibitor G9

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	43469.5	1	UniProt (P65168)	Mycobacterium tuberculosis	IMP dehydrogenase,IMPD,IMPDH
2	B (A)	INOSINIC ACID	non-polymer		348.2	1	Chemie (IMP) PubChem (135398640)
3	C (A)	(1S,3s)-3-(4-{(1R)-1-[(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)oxy]ethyl}-1H-1,2,3-triazol-1-yl)-1-methylcyclobutan-1-ol	non-polymer		380.4	1	Chemie (A1DCN)
4	D (A)	water	water		18.0	268	Chemie (HOH)

Sequence modifications

A: 2 - 125 (UniProt: P65168)

PDB	External Database	Details
Met -14	-	expression tag
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: P65168)

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	43469.5
Non-Polymers*	Number of molecules	2
	Total formula weight	728.6
All*	Total formula weight	44198.2

*Water molecules are not included.