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2DLN

VANCOMYCIN RESISTANCE: STRUCTURE OF D-ALANINE:D-ALANINE LIGASE AT 2.3 ANGSTROMS RESOLUTION

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
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
A0042803molecular_functionprotein homodimerization activity
A0046872molecular_functionmetal ion binding
A0071555biological_processcell wall organization
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 330
ChainResidue
ALYS215
AASP257
AGLU270
AADP310
APHY320

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 331
ChainResidue
AGLU270
AASN272
AADP310
APHY320
AHOH400

site_idAC3
Number of Residues22
DetailsBINDING SITE FOR RESIDUE ADP A 310
ChainResidue
ALYS97
AILE142
ALYS144
AGLU148
AGLY149
ASER150
ASER151
AMET154
AGLU180
ALYS181
ATRP182
ALEU183
AGLU187
ATYR210
ALYS215
AASP257
ALEU269
AGLU270
APHY320
AMG330
AMG331
AHOH413

site_idAC4
Number of Residues21
DetailsBINDING SITE FOR RESIDUE PHY A 320
ChainResidue
AGLU15
AGLY149
ASER150
ALYS215
ATYR216
AARG255
AASP257
AGLU270
AASN272
APRO275
AGLY276
ASER281
ALEU282
AADP310
AMG330
AMG331
AHOH400
AHOH430
AHOH531
AHOH637
AHOH654

site_idADP
Number of Residues15
Details
ChainResidue
ALYS97
ALYS215
AMET259
AGLU270
AASN272
AMG330
AMG331
AILE142
ALYS144
ASER150
ASER151
AGLU180
ATRP182
AGLU187
APHE209

site_idPHY
Number of Residues6
Details
ChainResidue
AGLU15
AVAL18
AHIS63
ASER150
ATYR216
ASER281

Functional Information from PROSITE/UniProt
site_idPS00843
Number of Residues12
DetailsDALA_DALA_LIGASE_1 D-alanine--D-alanine ligase signature 1. HGrgGEDGtLQG
ChainResidueDetails
AHIS63-GLY74

site_idPS00844
Number of Residues29
DetailsDALA_DALA_LIGASE_2 D-alanine--D-alanine ligase signature 2. LgckGwGRIDVMldsdgqfy....LlEANTsPG
ChainResidueDetails
ALEU248-GLY276

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE:
ChainResidueDetails
AARG16
ASER151
ALEU282

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
ASER135
AVAL258
AALA271
ATHR273

Catalytic Information from CSA
site_idMCSA1
Number of Residues8
DetailsM-CSA 883
ChainResidueDetails
AARG16electrostatic stabiliser, steric locator
ASER151electrostatic stabiliser
ALEU217activator
AILE256electrostatic stabiliser, steric locator
AVAL258metal ligand
AALA271metal ligand
ATHR273metal ligand
AMET277electrostatic stabiliser

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PDB entries from 2024-04-24

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