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3JSL

Crystal structure of the adenylation domain of NAD+-dependent DNA ligase from Staphylococcus aureus

Functional Information from GO Data
ChainGOidnamespacecontents
A0003911molecular_functionDNA ligase (NAD+) activity
B0003911molecular_functionDNA ligase (NAD+) activity
Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 402
ChainResidue
AGLY115
ALEU116
AALA117
AARG133
AARG194
AHOH441
AHOH444

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 404
ChainResidue
AARG165
ATYR219
ASER220
AHOH511
AHOH518
AMET79
ALEU80

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 406
ChainResidue
AALA2
AHIS49
AHOH485
AHOH536
BASN74
BHOH387
BHOH423

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 407
ChainResidue
AASN74
AHOH448
AHOH499
AHOH508
BALA2
BHIS49

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 408
ChainResidue
ALYS182
APHE190
AARG212
ALYS241

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 403
ChainResidue
BGLY115
BLEU116
BALA117
BARG133
BARG194
BHOH458
BHOH464

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 405
ChainResidue
BMET79
BLEU80
BARG165
BTYR219
BHOH441
BHOH460
BHOH462

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 409
ChainResidue
BLYS182
BPHE190
BGLN203
BARG212
BHOH452

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 Residues2
DetailsACT_SITE: N6-AMP-lysine intermediate => ECO:0000255|HAMAP-Rule:MF_01588
ChainResidueDetails
ALYS112
BLYS112

site_idSWS_FT_FI2
Number of Residues14
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01588
ChainResidueDetails
AASP32
BGLU110
BARG133
BGLU167
BLYS283
BLYS307
ASER81
AGLU110
AARG133
AGLU167
ALYS283
ALYS307
BASP32
BSER81

Catalytic Information from CSA
site_idCSA1
Number of Residues1
DetailsAnnotated By Reference To The Literature 1b04
ChainResidueDetails
ALYS112

site_idCSA2
Number of Residues1
DetailsAnnotated By Reference To The Literature 1b04
ChainResidueDetails
BLYS112

site_idCSA3
Number of Residues4
DetailsAnnotated By Reference To The Literature 1b04
ChainResidueDetails
AASP114
ALYS112
AARG194
ALYS307

site_idCSA4
Number of Residues4
DetailsAnnotated By Reference To The Literature 1b04
ChainResidueDetails
BASP114
BLYS112
BARG194
BLYS307

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PDB entries from 2024-07-24

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