6WYN

Transition metal inhibition and structural refinement of the M. tuberculosis esterase, Rv0045c

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Possible hydrolase	polymer	331	35589.8	1	UniProt (I6XU97) Pfam (PF12697) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
2	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
3		water	water		18.0	212	Chemie (HOH)

Sequence modifications

A: 34 - 330 (UniProt: I6XU97)

PDB	External Database	Details
Met 0	-	initiating methionine
Gly 1	-	expression tag
Ser 2	-	expression tag
Ser 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
Ser 10	-	expression tag
Ser 11	-	expression tag
Gly 12	-	expression tag
Leu 13	-	expression tag
Val 14	-	expression tag
Pro 15	-	expression tag
Arg 16	-	expression tag
Gly 17	-	expression tag
Ser 18	-	expression tag
His 19	-	expression tag
Met 20	-	expression tag
Ala 21	-	expression tag
Ser 22	-	expression tag
Met 23	-	expression tag
Thr 24	-	expression tag
Gly 25	-	expression tag
Gly 26	-	expression tag
Gln 27	-	expression tag
Gln 28	-	expression tag
Met 29	-	expression tag
Gly 30	-	expression tag
Arg 31	-	expression tag
Gly 32	-	expression tag
Ser 33	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	35589.8
Non-Polymers*	Number of molecules	1
	Total formula weight	35.5
All*	Total formula weight	35625.2

*Water molecules are not included.