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3BA9

Structural Basis for Inhbition of NAD-Dependent Ligase

Functional Information from GO Data
ChainGOidnamespacecontents
A0003911molecular_functionDNA ligase (NAD+) activity
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 402
ChainResidue
AALA125
AARG141
AARG202
AHOH701
AHOH705
AHOH722

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 403
ChainResidue
AHOH632
AHOH780
APRO81
AARG129
AARG137

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 404
ChainResidue
AARG190
AGLN195
AGLN211
AARG220
AHOH764

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 405
ChainResidue
AGLN24
AHIS27
ALYS32
AHOH879

site_idAC5
Number of Residues13
DetailsBINDING SITE FOR RESIDUE NMN A 401
ChainResidue
ATYR25
ATYR29
ATYR30
AVAL37
AASP39
ATYR42
AASP43
AARG158
AHOH607
AHOH656
AHOH668
AHOH708
AHOH745

site_idAC6
Number of Residues18
DetailsBINDING SITE FOR RESIDUE 3B9 A 501
ChainResidue
AILE84
APRO85
ATYR87
ALEU89
AGLU118
ALEU119
ATYR227
ATHR228
AVAL289
ALYS291
APHE303
ATRP310
AGOL601
AGOL603
AHOH614
AHOH615
AHOH649
AHOH662

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 601
ChainResidue
ASER88
ALEU89
ALYS120
A3B9501
AHOH701
AHOH761
AHOH799
AHOH824

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 602
ChainResidue
AARG104
AARG309
AHOH739
AHOH756
AHOH833

site_idAC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 603
ChainResidue
AVAL229
APHE295
AGLN298
ATRP310
A3B9501
AHOH615
AHOH634
AHOH770

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
ASER88
AGLU118
AARG141
AGLU175
ALYS291
ALYS315
AASP39

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PDB entries from 2024-05-15

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