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Target2,3-dihydroxybenzoate-AMP ligase
LigandBDBM50413191
Substrate/Competitorn/a
Meas. Tech.ChEMBL_493446
Ki 3.5±n/a nM
Citation Labello, NPBennett, EMFerguson, DMAldrich, CC Quantitative three dimensional structure linear interaction energy model of 5'-O-[N-(salicyl)sulfamoyl]adenosine and the aryl acid adenylating enzyme MbtA. J Med Chem51:7154-60 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
2,3-dihydroxybenzoate-AMP ligase
Name:2,3-dihydroxybenzoate-AMP ligase
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:59275.32
Organism:Mycobacterium tuberculosis
Description:ChEMBL_423930
Residue:565
Sequence:
MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVA
DAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGA
IPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDP
GPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAAL
CRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTA
LVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLL
NFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAER
DNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFS
AAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPI
GKIDKRAIVRQLGIATGPVTTQRCH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50413191
NameBDBM50413191
Synonyms:CHEMBL609108
TypeSmall organic molecule
Emp. Form.C17H18N6O7S
Mol. Mass.450.426
SMILESNc1ncnc2n(cnc12)C1CC(O)C(COS(=O)(=O)NC(=O)c2ccccc2O)O1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a