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4LH6

Crystal structure of a LigA inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0003911molecular_functionDNA ligase (NAD+) activity
Functional Information from PDB Data
site_idAC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 1X7 A 401
ChainResidue
ATYR87
AHOH570
AGLU118
ALEU119
ALYS120
AILE121
AGLU175
ATYR227
AVAL289
ALYS291

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE NMN A 402
ChainResidue
ATYR25
ASER26
ATYR29
ATYR30
AVAL37
AASP39
ATYR42
AASP43
AARG158
AHOH520
AHOH528
AHOH571
AHOH645
AHOH694

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 403
ChainResidue
ATRP268
AHIS275
ATYR314
AHOH716
AHOH739

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA A 404
ChainResidue
AALA218
AARG220
AHOH519
AHOH556
AHOH583
AHOH755

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA A 405
ChainResidue
AGLU276
ASER279
AHOH503
AHOH515
AHOH590
AHOH593

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
DetailsActive site: {"description":"N6-AMP-lysine intermediate","evidences":[{"source":"HAMAP-Rule","id":"MF_01588","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues12
DetailsBinding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01588","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"15296738","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

240971

PDB entries from 2025-08-27

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