Het-PDB Navi2 (PDB: 4DDM)

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Ligands
Code	Name	Link
GOL	Glycerol	PoSSuM
EOH	Ethanol	PoSSuM
0HO	2,1,3-benzothiadiazole-5-carboxylic acid	PoSSuM
EDO	1,2-ethanediol	PoSSuM

Non-standard Residues
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Download interaction data: 4DDM

Code :

4DDM PDBj RCSB PDB PDBe

Header :

ligase/ligase inhibitor

Title :

Pantothenate synthetase in complex with 2,1,3-benzothiadiazole-5-carboxylic acid

Release Data :

2013-02-13

Compound :

mol_id	molecule	chains	synonym
1	Pantothenate synthetase	A,B	PS, Pantoate--beta-alanine ligase, Pantoate-activating enzyme
	ec: 6.3.2.1 mutation: T2A, E77G

Source :

mol_id	organism_scientific	expression_system
1	Mycobacterium tuberculosis (taxid:1773)	Escherichia coli (taxid:562)
	strain: H37Rv gene: MT3707, MTCY07H7B.20, panC, Rv3602c expression_system_strain: Rosetta 2 expression_system_vector_type: plasmid expression_system_plasmid: pET30b

Authors :

Silvestre, H.L.

Keywords :

Fragment-based drug discovery, Alpha Beta/Adenine nucleotide alpha hydrolase-like, pantoate and b-Ala binding, ligase-ligase inhibitor complex

Exp. method :

X-RAY DIFFRACTION ( 1.83 Å )

Citation :

Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.

Silvestre, H.L.,Blundell, T.L.,Abell, C. et al.
(2013) Proc.Natl.Acad.Sci.USA 110 : 12984 - 12989

PDB ID: 4DDM