Brand  (β version)

PDB ID: 3IUE

Hetero Atom Contents

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hetatm:

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Ligands
Code Name Link
EDO 1,2-ethanediol PoSSuM
EOH Ethanol PoSSuM
FG3 (5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid PoSSuM
GOL Glycerol PoSSuM

Structure summary

Code : 3IUE   PDBj   RCSB PDB   PDBe
Header : LIGASE
Title : Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(5-Methylpyridin-2-ylsulfonylcarbamoyl)-1H-indol-1-yl) acetic acid
Release Data : 2009-10-13
Compound :
mol_id molecule chains synonym
1 Pantothenate synthetase A,B PS, Pantoate-beta-alanine ligase, Pantoate-activating enzyme
ec: 6.3.2.1
fragment: UNP residues 1-301
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: pET30a
Authors : Silvestre, H.L., Wen, S., Hung, A.W., Ciulli, A., Blundell, T.L., Abell, C.
Keywords : Mycobacterium tuberculosis, pantothenate synthetase, fragment-based lead discovery, ATP-binding, Ligase, Magnesium, Metal-binding, Nucleotide-binding, Pantothenate biosynthesis
Exp. method : X-RAY DIFFRACTION ( 1.73 Å )
Citation :

Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.

Hung, A.W.,Silvestre, H.L.,Wen, S.  et al.
(2009)  Angew.Chem.Int.Ed.Engl.  48 : 8452 - 8456

PubMed: 19780086
DOI: 10.1002/anie.200903821

Reaction

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