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3BAB

Structural Basis for the Inhibition of Bacterial NAD+ Dependent DNA Ligase

Functional Information from GO Data
ChainGOidnamespacecontents
A0003911molecular_functionDNA ligase (NAD+) activity
Functional Information from PDB Data
site_idAC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 403
ChainResidue
APRO81
AARG129
AARG137

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 404
ChainResidue
AARG190
AGLN195
AGLN211
AARG220

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 405
ChainResidue
ALYS32
AGLN24
AHIS27

site_idAC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 A 406
ChainResidue
APRO81
AHIS82
AASP83
ASER127
AARG129
AARG137
AGLU171
AARG173
AHOH613

site_idAC5
Number of Residues12
DetailsBINDING SITE FOR RESIDUE NMN A 401
ChainResidue
ATYR25
ATYR29
ATYR30
AVAL37
AASP39
ATYR42
AASP43
ATYR46
AARG158
AHOH606
AHOH669
AHOH690

site_idAC6
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 3BD A 501
ChainResidue
ATYR87
AGLU118
ALEU119
ALYS120
AILE121
AALA125
AGLU175
ATYR227
ALYS291
ATRP310
AHOH630
AHOH649

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 603
ChainResidue
AASN23
AARG68
APRO161
AMET162
AARG163
AHOH607

Functional Information from PROSITE/UniProt
site_idPS01055
Number of Residues30
DetailsDNA_LIGASE_N1 NAD-dependent DNA ligase signature 1. KIDGLAislrYenGvFvrgaTRGDGtvGEN
ChainResidueDetails
ALYS120-ASN149

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: N6-AMP-lysine intermediate => ECO:0000255|HAMAP-Rule:MF_01588
ChainResidueDetails
ALYS120

site_idSWS_FT_FI2
Number of Residues7
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01588, ECO:0000269|PubMed:15296738
ChainResidueDetails
AASP39
ASER88
AGLU118
AARG141
AGLU175
ALYS291
ALYS315

Catalytic Information from CSA
site_idCSA1
Number of Residues1
DetailsAnnotated By Reference To The Literature 1b04
ChainResidueDetails
ALYS120

site_idCSA2
Number of Residues4
DetailsAnnotated By Reference To The Literature 1b04
ChainResidueDetails
ALYS120
ALYS315
AASP122
AARG202

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PDB entries from 2024-07-31

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