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2I8C

Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies

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 SO4 A 401
ChainResidue
AHIS96
AARG291
AASN308
AGLY312

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 401
ChainResidue
BARG291
BASN308
BGLY312

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE MG B 402
ChainResidue
BGLU306
BADP400

site_idAC4
Number of Residues12
DetailsBINDING SITE FOR RESIDUE ADP A 400
ChainResidue
ALYS130
ALEU145
APHE175
ALYS177
ASER183
AGLU213
AGLN214
AGLY215
AVAL216
AGLU220
AASN305
AGLU306

site_idAC5
Number of Residues12
DetailsBINDING SITE FOR RESIDUE ADP B 400
ChainResidue
BPHE175
BLYS177
BSER183
BGLU213
BGLN214
BGLY215
BVAL216
BGLU220
BPHE295
BASN305
BGLU306
BMG402

Functional Information from PROSITE/UniProt
site_idPS00843
Number of Residues12
DetailsDALA_DALA_LIGASE_1 D-alanine--D-alanine ligase signature 1. HGpnGEDGtIQG
ChainResidueDetails
AHIS96-GLY107

site_idPS00844
Number of Residues29
DetailsDALA_DALA_LIGASE_2 D-alanine--D-alanine ligase signature 2. TdcsGlVRADFFvtednqiy....InETNAmPG
ChainResidueDetails
ATHR284-GLY312

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00047
ChainResidueDetails
AASN167
AASP293
AGLU306
AASN308
BASN167
BASP293
BGLU306
BASN308

Catalytic Information from CSA
site_idCSA1
Number of Residues4
DetailsAnnotated By Reference To The Literature 2dln
ChainResidueDetails
AARG291
ASER183
AGLU16
AGLY312

site_idCSA2
Number of Residues4
DetailsAnnotated By Reference To The Literature 2dln
ChainResidueDetails
BARG291
BSER183
BGLU16
BGLY312

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PDB entries from 2024-09-11

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