Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain: Hide other chain(s)

Ligands
Code Name Link
0HN 1,3-benzodioxole-5-carboxylic acid
EDO 1,2-ethanediol
EOH Ethanol
GOL Glycerol
Code : 4DDK
Header : ligase/ligase inhibitor
Title : Pantothenate synthetase in complex with 1,3-benzodioxole-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 ( 1.75 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

PubMed: 23872845
DOI: 10.1073/pnas.1304045110

Chain : A, B
UniProt : P0A5R0 (multiple entry names are found)
Reaction : -