4OTK

A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Mycobacterial Enzyme Rv2971	polymer	318	34188.1	1	UniProt (P95124) Pfam (PF00248) UniProt (by SIFTS) (P9WQA5)	Mycobacterium tuberculosis
2	B, C (A)	MALONATE ION	non-polymer		102.0	2	Chemie (MLI)
3	D (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	E (A)	water	water		18.0	311	Chemie (HOH)

Sequence modifications

A: -6 - 282 (UniProt: P95124)

PDB	External Database	Details
Met -35	-	expression tag
Gly -34	-	expression tag
Ser -33	-	expression tag
Ser -32	-	expression tag
His -31	-	expression tag
His -30	-	expression tag
His -29	-	expression tag
His -28	-	expression tag
His -27	-	expression tag
His -26	-	expression tag
Ser -25	-	expression tag
Ser -24	-	expression tag
Gly -23	-	expression tag
Leu -22	-	expression tag
Val -21	-	expression tag
Pro -20	-	expression tag
Arg -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
Met -15	-	expression tag
Ala -14	-	expression tag
Ser -13	-	expression tag
Met -12	-	expression tag
Thr -11	-	expression tag
Gly -10	-	expression tag
Gly -9	-	expression tag
Gln -8	-	expression tag
Gln -7	-	expression tag
Gly -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
Glu -1	-	expression tag
Phe 0	-	expression tag
Val 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34188.1
Non-Polymers*	Number of molecules	3
	Total formula weight	239.5
All*	Total formula weight	34427.7

*Water molecules are not included.