4ZOJ

Methylsulfanyl-containing inhibitor bound in the active site of Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Anthranilate phosphoribosyltransferase	polymer	379	38948.0	2	UniProt (A5U4M0) Pfam (PF02885) Pfam (PF00591) In PDB	Mycobacterium tuberculosis H37Ra
2	A, B	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
3	A, B	1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose	non-polymer		390.1	2	Chemie (PRP)
4	A, B	4-methyl-2-{[2-methyl-6-(methylsulfanyl)phenyl]amino}benzoic acid	non-polymer		287.4	2	Chemie (61L)
5	A	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
6	B	IMIDAZOLE	non-polymer		69.1	1	Chemie (IMD)
7		water	water		18.0	288	Chemie (HOH)

Sequence modifications

A, B: 2 - 370 (UniProt: A5U4M0)

PDB	External Database	Details
Met 0	-	initiating methionine
Val 1	-	cloning artifact
Leu 371	-	expression tag
Glu 372	-	expression tag
His 373	-	expression tag
His 374	-	expression tag
His 375	-	expression tag
His 376	-	expression tag
His 377	-	expression tag
His 378	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	77896.0
Non-Polymers*	Number of molecules	10
	Total formula weight	1616.2
All*	Total formula weight	79512.2

*Water molecules are not included.