5IWC

Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 3 [4-(3-([1,1'-Biphenyl]-3-yl)ureido)-2-hydroxybenzoic acid]

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	O-phosphoserine sulfhydrylase	polymer	326	34724.1	2	UniProt (P9WP53) Pfam (PF00291) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	OPS sulfhydrylase,CysO-thiocarboxylate-dependent cysteine synthase,Cysteine synthase B,CSase B,O-phosphoserine-specific cysteine synthase,[CysO sulfur-carrier protein]-thiocarboxylate-dependent cysteine synthase
2	A, B	PYRIDOXAL-5'-PHOSPHATE	non-polymer		247.1	2	Chemie (PLP)
3	A, B	4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid	non-polymer		348.4	2	Chemie (6EQ)
4		water	water		18.0	36	Chemie (HOH)

Sequence modifications

A, B: 1 - 323 (UniProt: P9WP53)

PDB	External Database	Details
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ala 2	Thr 2	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	69448.2
Non-Polymers*	Number of molecules	4
	Total formula weight	1191.0
All*	Total formula weight	70639.2

*Water molecules are not included.