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4CC6

Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase

Functional Information from GO Data
ChainGOidnamespacecontents
A0003911molecular_functionDNA ligase (NAD+) activity
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1310
ChainResidue
AALA117
AARG133
AARG194
AHOH2051

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE L5Y A 1311
ChainResidue
AILE113
AGLU167
ATYR219
ALYS283
APRO300
AALA303
ALEU80
ALEU82
AGLU110
ALEU111
ALYS112

Functional Information from PROSITE/UniProt
site_idPS01055
Number of Residues30
DetailsDNA_LIGASE_N1 NAD-dependent DNA ligase signature 1. KIDGLAvslkYvdGyFvqglTRGDGttGED
ChainResidueDetails
ALYS112-ASP141

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsActive site: {"description":"N6-AMP-lysine intermediate","evidences":[{"source":"HAMAP-Rule","id":"MF_01588","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues10
DetailsBinding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01588","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

246905

PDB entries from 2025-12-31

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