4RLU

Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium tuberculosis complexed with 2',4,4'-trihydroxychalcone

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	(3R)-hydroxyacyl-ACP dehydratase subunit HadA	polymer	158	17465.4	1	UniProt (I6Y8B9) Pfam (PF13452) UniProt (by SIFTS) (P9WFK1) In PDB	Mycobacterium tuberculosis H37Rv	Rv0635
2	B	(3R)-hydroxyacyl-ACP dehydratase subunit HadB	polymer	147	15361.4	1	UniProt (I6WYY7) Pfam (PF01575) In PDB	Mycobacterium tuberculosis H37Rv	Rv0636
3	A	2',4,4'-TRIHYDROXYCHALCONE	non-polymer		256.3	1	Chemie (HCC)
4	A	TRIETHYLENE GLYCOL	non-polymer		150.2	2	Chemie (PGE)
5	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6		water	water		18.0	145	Chemie (HOH)

Sequence modifications

A: 1 - 158 (UniProt: I6Y8B9)

PDB	External Database	Details
Val 1	Met 1	conflict

B: 1 - 142 (UniProt: I6WYY7)

PDB	External Database	Details
Gly -4	-	expression tag
Pro -3	-	expression tag
Leu -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	32826.8
Non-Polymers*	Number of molecules	4
	Total formula weight	648.7
All*	Total formula weight	33475.5

*Water molecules are not included.