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3BAA

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 Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 402
ChainResidue
ALYS120
AGLU175
A3BA501
AHOH802
AHOH840

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 403
ChainResidue
AHOH832
APRO81
AARG129
AARG137
AHOH647

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 404
ChainResidue
AARG190
AGLN195
AGLN211
AARG220
AHOH792
AHOH863

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 405
ChainResidue
AGLN24
AHIS27
ALYS32

site_idAC5
Number of Residues13
DetailsBINDING SITE FOR RESIDUE NMN A 401
ChainResidue
ATYR25
ATYR29
ATYR30
AVAL37
AASP39
ATYR42
AASP43
AARG158
AHOH622
AHOH658
AHOH703
AHOH734
AHOH785

site_idAC6
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 3BA A 501
ChainResidue
ATYR87
ALEU89
AGLU118
ALEU119
ALYS120
AILE121
AGLU175
ATYR227
AVAL289
ALYS291
ATRP310
ASO4402
AGOL603

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 602
ChainResidue
APHE101
AARG104
AARG309
AHOH684
AHOH806

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 603
ChainResidue
APRO85
AMET86
ATYR87
AARG173
APHE303
A3BA501
AHOH872

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

218853

PDB entries from 2024-04-24

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