9CXX

Structure of Rv2985, a Nudix diadenosine polyphosphatase from M. tuberculosis, in complex with putative ATP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	8-oxo-(d)GTP phosphatase	polymer	341	37713.5	2	UniProt (P9WIY2) Pfam (PF00293) Pfam (PF00300) UniProt (by SIFTS) (P9WIY3)	Mycobacterium tuberculosis	8-oxo-(d)GTPase
2	C (A)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	1	Chemie (ATP)
3	D, E, F, G, H... (A, B)	SULFATE ION	non-polymer		96.1	16	Chemie (SO4)
4	T, U (A, B)	water	water		18.0	190	Chemie (HOH)

Sequence modifications

A, B: 2 - 317 (UniProt: P9WIY2)

PDB	External Database	Details
Met -23	-	initiating methionine
Gly -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
Gly -9	-	expression tag
His -8	-	expression tag
Ile -7	-	expression tag
Asp -6	-	expression tag
Asp -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Lys -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag
Val 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	75426.9
Non-Polymers*	Number of molecules	17
	Total formula weight	2044.2
All*	Total formula weight	77471.1

*Water molecules are not included.