Brand  (β version)

PDB ID: 4G5F

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Ligands
Code Name Style Show Link
GOL Glycerol PoSSuM
0JD (2s)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid PoSSuM
15N (2r)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid PoSSuM
EDO 1,2-ethanediol PoSSuM
EOH Ethanol PoSSuM
Non-standard Residues
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Structure summary

Code : 4G5F   PDBj   RCSB PDB   PDBe
Header : Ligase/Ligase inhibitor
Title : Pantothenate synthetase in complex with racemate (2S)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID and (2R)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID
Release Data : 2013-07-17
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: Rosetta2
expression_system_vector_type: plasmid
expression_system_plasmid: pET30b
Authors : Silvestre, H.L., Blundell, T.L., Abell, C., Ciulli, A.
Keywords : Alpha Beta 3-Layer(aba) Sandwich Rossmann fold, Ligase, ATP binding Pantoate binding beta-Alanine binding, Ligase-Ligase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.33 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

Reaction

Chain : A, B
UniProt : P0A5R0
Reaction : -