Het-PDB Navi2 (PDB: 4G5Y)

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Ligands
Code	Name	Link
ATP	Adenosine-5'-triphosphate	PoSSuM
MG	Magnesium ion	PoSSuM
0OC	N,N-dimethylthiophene-3-sulfonamide	PoSSuM
GOL	Glycerol	PoSSuM
EOH	Ethanol	PoSSuM

Non-standard Residues
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Download interaction data: 4G5Y

Code :

4G5Y PDBj RCSB PDB PDBe

Header :

ligase/ligase inhibitor

Title :

Crystal Structure of Mycobacterium tuberculosis Pantothenate synthetase in a ternary complex with ATP and N,N-DIMETHYLTHIOPHENE-3-SULFONAMIDE

Release Data :

2013-07-03

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)
	gene: MT3707, MTCY07H7B.20, panC, Rv3602c expression_system_strain: C41(DE3) expression_system_vector_type: plasmid expression_system_plasmid: pET30a

Authors :

Ciulli, A., Silvestre, H.L., Blundell, T.L., Abell, C.

Keywords :

drug design, fragment-based, ligase, pantothenate biosynthesis, ligase-ligase inhibitor complex

Exp. method :

X-RAY DIFFRACTION ( 1.80 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: 4G5Y