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3TY9

Crystal Structure of C. Thermocellum PNKP Ligase Domain AMP-Adenylate

Functional Information from PDB Data
site_idAC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE AMP A 900
ChainResidue
AGLU529
ALYS774
ALYS792
AARG794
AGLN530
ALYS531
AHIS532
AARG536
AGLU607
AARG687
APHE704
AGLU769

site_idAC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE MPD A 905
ChainResidue
AGLY767
AILE801

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE MPD A 906
ChainResidue
BLEU489
BGLY567

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MPD A 907
ChainResidue
AARG551
APHE842
AASN845
AGLU846

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MRD A 908
ChainResidue
ASER502
ALYS504
AMET507
AMET809
AGLU811
AGLU814

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MRD A 909
ChainResidue
AARG583
AASP733
AASP734
ASER735
DARG819

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 910
ChainResidue
AGLU684
AARG687
AILE802

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG A 1000
ChainResidue
ATHR731
AASP734
AILE737

site_idAC9
Number of Residues12
DetailsBINDING SITE FOR RESIDUE AMP B 900
ChainResidue
BGLU529
BGLN530
BLYS531
BHIS532
BARG536
BGLU607
BARG687
BPHE704
BGLU769
BLYS774
BLYS792
BARG794

site_idBC1
Number of Residues1
DetailsBINDING SITE FOR RESIDUE MPD B 905
ChainResidue
BASP733

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MRD B 907
ChainResidue
BSER502
BLYS503
BLYS504
BGLU505
BGLY506
BMET507
BGLU814

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MRD B 908
ChainResidue
BTYR623
BGLY767
BGLY768

site_idBC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG B 1000
ChainResidue
BTHR731
BASP734
BILE737

site_idBC5
Number of Residues12
DetailsBINDING SITE FOR RESIDUE AMP C 900
ChainResidue
CGLU529
CGLN530
CLYS531
CHIS532
CARG536
CGLU607
CARG687
CPHE704
CGLU769
CLYS774
CLYS792
CARG794

site_idBC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MPD C 905
ChainResidue
AARG631
ALEU634
CARG631
CLEU634

site_idBC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MPD C 906
ChainResidue
CTYR623
CGLY767
CTYR798

site_idBC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MPD C 907
ChainResidue
CGLU684
CARG687
CLYS688
CTYR798
CILE802

site_idBC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG C 1000
ChainResidue
CTHR731
CASP734
CILE737

site_idCC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE AMP D 900
ChainResidue
DLYS774
DLYS792
DARG794
DGLU529
DGLN530
DLYS531
DHIS532
DARG536
DGLU607
DARG687
DPHE704
DGLU769

site_idCC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MPD D 905
ChainResidue
CLEU489
CLEU859
DLEU489
DTHR566
DGLY567

site_idCC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MPD D 906
ChainResidue
DGLU684
DARG687
DTYR798
DILE802
DPRO868

site_idCC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE MPD D 907
ChainResidue
DGLY767
DILE801

site_idCC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MRD D 908
ChainResidue
BLYS781
DLYS614
DALA615
DTRP691

site_idCC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG D 1000
ChainResidue
DTHR731
DASP734
DILE737

246031

PDB entries from 2025-12-10

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