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2ZDG

Crystal structure of D-Alanine:D-Alanine Ligase with ADP from Thermus thermophius HB8

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0005524molecular_functionATP binding
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0008360biological_processregulation of cell shape
A0008716molecular_functionD-alanine-D-alanine ligase activity
A0009252biological_processpeptidoglycan biosynthetic process
A0016874molecular_functionligase activity
A0046872molecular_functionmetal ion binding
A0071555biological_processcell wall organization
B0000166molecular_functionnucleotide binding
B0005524molecular_functionATP binding
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0008360biological_processregulation of cell shape
B0008716molecular_functionD-alanine-D-alanine ligase activity
B0009252biological_processpeptidoglycan biosynthetic process
B0016874molecular_functionligase activity
B0046872molecular_functionmetal ion binding
B0071555biological_processcell wall organization
C0000166molecular_functionnucleotide binding
C0005524molecular_functionATP binding
C0005737cellular_componentcytoplasm
C0005829cellular_componentcytosol
C0008360biological_processregulation of cell shape
C0008716molecular_functionD-alanine-D-alanine ligase activity
C0009252biological_processpeptidoglycan biosynthetic process
C0016874molecular_functionligase activity
C0046872molecular_functionmetal ion binding
C0071555biological_processcell wall organization
D0000166molecular_functionnucleotide binding
D0005524molecular_functionATP binding
D0005737cellular_componentcytoplasm
D0005829cellular_componentcytosol
D0008360biological_processregulation of cell shape
D0008716molecular_functionD-alanine-D-alanine ligase activity
D0009252biological_processpeptidoglycan biosynthetic process
D0016874molecular_functionligase activity
D0046872molecular_functionmetal ion binding
D0071555biological_processcell wall organization
Functional Information from PDB Data
site_idAC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE MG C 601
ChainResidue
CASP270
CGLU282

site_idAC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE MG D 602
ChainResidue
DASP270
DGLU282

site_idAC3
Number of Residues15
DetailsBINDING SITE FOR RESIDUE ADP A 401
ChainResidue
ASER160
AILE163
AGLU189
ALYS190
AALA191
ALEU192
AGLU197
APHE272
AASN281
AGLU282
ALYS116
APHE151
ALYS153
AGLY158
ASER159

site_idAC4
Number of Residues13
DetailsBINDING SITE FOR RESIDUE ADP B 402
ChainResidue
BLYS116
BPHE151
BLYS153
BSER160
BILE163
BGLU189
BLYS190
BALA191
BLEU192
BGLU197
BPHE272
BASN281
BGLU282

site_idAC5
Number of Residues19
DetailsBINDING SITE FOR RESIDUE ADP C 403
ChainResidue
CLYS116
CPHE151
CLYS153
CGLY158
CSER159
CSER160
CILE163
CGLU189
CLYS190
CALA191
CLEU192
CGLU197
CTYR218
CPHE222
CTYR223
CLYS228
CPHE272
CASN281
CGLU282

site_idAC6
Number of Residues14
DetailsBINDING SITE FOR RESIDUE ADP D 404
ChainResidue
BALA220
DLYS116
DPHE151
DLYS153
DSER159
DSER160
DILE163
DGLU189
DLYS190
DLEU192
DGLU197
DPHE272
DASN281
DGLU282

Functional Information from PROSITE/UniProt
site_idPS00843
Number of Residues12
DetailsDALA_DALA_LIGASE_1 D-alanine--D-alanine ligase signature 1. HGrfGEDGtVQG
ChainResidueDetails
AHIS82-GLY93

site_idPS00844
Number of Residues28
DetailsDALA_DALA_LIGASE_2 D-alanine--D-alanine ligase signature 2. LgvrGmARVDFFlaegely.....LnELNTiPG
ChainResidueDetails
ALEU261-GLY288

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues216
DetailsBinding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00047","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues195
DetailsDomain: {"description":"ATP-grasp","evidences":[{"source":"HAMAP-Rule","id":"MF_00047","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

Catalytic Information from CSA
site_idCSA1
Number of Residues4
DetailsAnnotated By Reference To The Literature 2dln
ChainResidueDetails
AGLU13
AARG268
AGLY288
ASER159

site_idCSA2
Number of Residues4
DetailsAnnotated By Reference To The Literature 2dln
ChainResidueDetails
BGLU13
BARG268
BGLY288
BSER159

site_idCSA3
Number of Residues5
DetailsAnnotated By Reference To The Literature 2dln
ChainResidueDetails
CGLU13
CTYR229
CARG268
CGLY288
CSER159

site_idCSA4
Number of Residues4
DetailsAnnotated By Reference To The Literature 2dln
ChainResidueDetails
DGLU13
DARG268
DGLY288
DSER159

247947

PDB entries from 2026-01-21

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