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6U1E

Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Rb+

Functional Information from GO Data
ChainGOidnamespacecontents
A0003824molecular_functioncatalytic activity
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
B0003824molecular_functioncatalytic activity
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
Functional Information from PDB Data
site_idAC1
Number of Residues4
Detailsbinding site for residue MG A 403
ChainResidue
AASP270
AGLU282
AATP407
AHOH579

site_idAC2
Number of Residues5
Detailsbinding site for residue MG A 404
ChainResidue
AGLU282
AASN284
ARB405
AATP407
AHOH585

site_idAC3
Number of Residues7
Detailsbinding site for residue RB A 405
ChainResidue
ACYS113
AGLU282
ALEU283
AASN284
AMG404
AHOH516
AHOH596

site_idAC4
Number of Residues3
Detailsbinding site for residue RB A 406
ChainResidue
ATRP133
AHOH641
BHOH605

site_idAC5
Number of Residues31
Detailsbinding site for residue ATP A 407
ChainResidue
ALYS116
APHE151
ALYS153
AGLY158
ASER159
ASER160
AILE163
AGLU189
ALYS190
AALA191
ALEU192
AGLU197
ATYR218
APHE222
ATYR223
ALYS228
AARG268
AASP270
APHE272
AASN281
AGLU282
AASN284
ADAL401
ADAL402
AMG403
AMG404
AHOH553
AHOH573
AHOH579
AHOH585
AHOH604

site_idAC6
Number of Residues5
Detailsbinding site for residue MG B 403
ChainResidue
BASP270
BASN281
BGLU282
BATP407
BHOH555

site_idAC7
Number of Residues5
Detailsbinding site for residue MG B 404
ChainResidue
BGLU282
BASN284
BRB405
BATP407
BHOH574

site_idAC8
Number of Residues6
Detailsbinding site for residue RB B 405
ChainResidue
BCYS113
BGLU282
BLEU283
BASN284
BMG404
BHOH510

site_idAC9
Number of Residues3
Detailsbinding site for residue RB B 406
ChainResidue
AHOH642
BTRP133
BHOH607

site_idAD1
Number of Residues30
Detailsbinding site for residue ATP B 407
ChainResidue
BLYS116
BPHE151
BLYS153
BGLY158
BSER159
BSER160
BILE163
BGLU189
BLYS190
BALA191
BLEU192
BGLU197
BTYR218
BPHE222
BTYR223
BLYS228
BARG268
BASP270
BPHE272
BASN281
BGLU282
BASN284
BDAL401
BDAL402
BMG403
BMG404
BHOH522
BHOH528
BHOH555
BHOH574

site_idAD2
Number of Residues13
Detailsbinding site for Di-peptide DAL A 401 and DAL A 402
ChainResidue
AGLU13
AHIS82
ASER159
ALYS228
ATYR229
AARG268
AGLY288
ASER293
AMET294
AATP407
AHOH509
AHOH576
AHOH589

site_idAD3
Number of Residues13
Detailsbinding site for Di-peptide DAL B 401 and DAL B 402
ChainResidue
BGLU13
BHIS82
BSER159
BLYS228
BTYR229
BARG268
BGLY288
BSER293
BMET294
BATP407
BHOH509
BHOH546
BHOH561

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 Residues8
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00047
ChainResidueDetails
AASP147
AASP270
AGLU282
AASN284
BASP147
BASP270
BGLU282
BASN284

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PDB entries from 2024-11-13

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